2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine

C111H142N36O12 — CID 165025068

IUPAC2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
SMILESCC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)=CCN.CC(C)=CCNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C21H28N6O3.C21H26N6O.3C16H20N6O2.C16H17N5O2.C5H11N/c1-21(2,29)17(28)12-23-19-14-7-6-13(11-15(14)25-20(22)26-19)16-8-9-24-27(16)18-5-3-4-10-30-18;1-14(2)8-10-23-20-16-7-6-15(13-17(16)25-21(22)26-20)18-9-11-24-27(18)19-5-3-4-12-28-19;3*1-16(2,24)13(23)8-18-14-10-4-3-9(11-5-6-19-22-11)7-12(10)20-15(17)21-14;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-5(2)3-4-6/h6-9,11,17-18,28-29H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);6-9,11,13,19H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);3*3-7,13,23-24H,8H2,1-2H3,(H,19,22)(H3,17,18,20,21);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);3H,4,6H2,1-2H3
InChIKeyLTGBZMLRUGWSOC-UHFFFAOYSA-N
MW2172.60 g/mol
LogP12.89
Rot. Bonds29

About 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine

2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine (PubChem CID 165025068) has the molecular formula C111H142N36O12 and a molecular weight of 2172.60 g/mol. Its IUPAC name is 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
PubChem CID165025068
Molecular FormulaC111H142N36O12
Molecular Weight2172.60 g/mol
Exact Mass2171.16
IUPAC Name2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
SMILESCC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)=CCN.CC(C)=CCNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1
InChIInChI=1S/C21H28N6O3.C21H26N6O.3C16H20N6O2.C16H17N5O2.C5H11N/c1-21(2,29)17(28)12-23-19-14-7-6-13(11-15(14)25-20(22)26-19)16-8-9-24-27(16)18-5-3-4-10-30-18;1-14(2)8-10-23-20-16-7-6-15(13-17(16)25-21(22)26-20)18-9-11-24-27(18)19-5-3-4-12-28-19;3*1-16(2,24)13(23)8-18-14-10-4-3-9(11-5-6-19-22-11)7-12(10)20-15(17)21-14;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-5(2)3-4-6/h6-9,11,17-18,28-29H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);6-9,11,13,19H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);3*3-7,13,23-24H,8H2,1-2H3,(H,19,22)(H3,17,18,20,21);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);3H,4,6H2,1-2H3
InChIKeyLTGBZMLRUGWSOC-UHFFFAOYSA-N
XLogP12.89
TPSA745.97 Ų
H-Bond Donors24
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.60
LogP ≤ 512.89
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine with MolForge

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Related Compounds

(1R,2R,4R)-4-amino-2-methoxycyclopentan-1-ol;2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;(1R,2R,4S)-4-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methoxycyclopentan-1-ol;tert-butyl N-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]carbamate
CID 165034387
2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;2-methylprop-2-en-1-amine;4-N-(2-methylprop-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine
CID 165054798

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The IUPAC name of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine (CID 165025068) is 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The canonical SMILES for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine is CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(O)C(O)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)=CCN.CC(C)=CCNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
The InChIKey is LTGBZMLRUGWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3.C21H26N6O.3C16H20N6O2.C16H17N5O2.C5H11N/c1-21(2,29)17(28)12-23-19-14-7-6-13(11-15(14)25-20(22)26-19)16-8-9-24-27(16)18-5-3-4-10-30-18;1-14(2)8-10-23-20-16-7-6-15(13-17(16)25-21(22)26-20)18-9-11-24-27(18)19-5-3-4-12-28-19;3*1-16(2,24)13(23)8-18-14-10-4-3-9(11-5-6-19-22-11)7-12(10)20-15(17)21-14;17-16-19-12-9-10(4-5-11(12)15(22)20-16)13-6-7-18-21(13)14-3-1-2-8-23-14;1-5(2)3-4-6/h6-9,11,17-18,28-29H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);6-9,11,13,19H,3-5,10,12H2,1-2H3,(H3,22,23,25,26);3*3-7,13,23-24H,8H2,1-2H3,(H,19,22)(H3,17,18,20,21);4-7,9,14H,1-3,8H2,(H3,17,19,20,22);3H,4,6H2,1-2H3.
What are the key properties of 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine?
2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine has a molecular weight of 2172.60 g/mol, XLogP of 12.89, 29 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-quinazolin-4-one;1-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-3-methylbutane-2,3-diol;tris(1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-3-methylbutane-2,3-diol);3-methylbut-2-en-1-amine;4-N-(3-methylbut-2-enyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 165025068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).