[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C21H25N7O — CID 131919946

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)nc(N)n1
InChIInChI=1S/C21H25N7O/c1-14(2)11-15-12-18(26-21(22)25-15)20(29)28-9-7-27(8-10-28)19-16-5-3-4-6-17(16)23-13-24-19/h3-6,12-14H,7-11H2,1-2H3,(H2,22,25,26)
InChIKeyVNIMIYDCDMPOIR-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.16
Rot. Bonds4

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 131919946) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID131919946
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)nc(N)n1
InChIInChI=1S/C21H25N7O/c1-14(2)11-15-12-18(26-21(22)25-15)20(29)28-9-7-27(8-10-28)19-16-5-3-4-6-17(16)23-13-24-19/h3-6,12-14H,7-11H2,1-2H3,(H2,22,25,26)
InChIKeyVNIMIYDCDMPOIR-UHFFFAOYSA-N
XLogP2.16
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 29105738
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 154563924
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 70780034
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163310197
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 131919946) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone is CC(C)Cc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)nc(N)n1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is VNIMIYDCDMPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14(2)11-15-12-18(26-21(22)25-15)20(29)28-9-7-27(8-10-28)19-16-5-3-4-6-17(16)23-13-24-19/h3-6,12-14H,7-11H2,1-2H3,(H2,22,25,26).
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 131919946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).