[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol

C18H22N6O — CID 154649311

IUPAC[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
SMILESNc1nc(N[C@@H]2CCCCC2CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H22N6O/c19-18-22-16-9-11(15-7-8-20-24-15)5-6-13(16)17(23-18)21-14-4-2-1-3-12(14)10-25/h5-9,12,14,25H,1-4,10H2,(H,20,24)(H3,19,21,22,23)/t12?,14-/m1/s1
InChIKeyKKXAOJMMYTZRSW-TYZXPVIJSA-N
MW338.42 g/mol
LogP2.57
Rot. Bonds4

About [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol

[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol (PubChem CID 154649311) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
PubChem CID154649311
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
SMILESNc1nc(N[C@@H]2CCCCC2CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H22N6O/c19-18-22-16-9-11(15-7-8-20-24-15)5-6-13(16)17(23-18)21-14-4-2-1-3-12(14)10-25/h5-9,12,14,25H,1-4,10H2,(H,20,24)(H3,19,21,22,23)/t12?,14-/m1/s1
InChIKeyKKXAOJMMYTZRSW-TYZXPVIJSA-N
XLogP2.57
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175739698
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol (CID 154649311) is [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol is Nc1nc(N[C@@H]2CCCCC2CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is KKXAOJMMYTZRSW-TYZXPVIJSA-N. The full InChI is InChI=1S/C18H22N6O/c19-18-22-16-9-11(15-7-8-20-24-15)5-6-13(16)17(23-18)21-14-4-2-1-3-12(14)10-25/h5-9,12,14,25H,1-4,10H2,(H,20,24)(H3,19,21,22,23)/t12?,14-/m1/s1.
What are the key properties of [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol?
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 338.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 154649311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).