2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one

C18H19N7O — CID 135990818

IUPAC2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCCc1nc(NCc2nc3ccccc3c(=O)[nH]2)c2cnn(C)c2n1
InChIInChI=1S/C18H19N7O/c1-3-6-14-22-16(12-9-20-25(2)17(12)23-14)19-10-15-21-13-8-5-4-7-11(13)18(26)24-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,22,23)(H,21,24,26)
InChIKeyOALATGFYIPGGHY-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.16
Rot. Bonds5

About 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one

2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135990818) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135990818
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCCc1nc(NCc2nc3ccccc3c(=O)[nH]2)c2cnn(C)c2n1
InChIInChI=1S/C18H19N7O/c1-3-6-14-22-16(12-9-20-25(2)17(12)23-14)19-10-15-21-13-8-5-4-7-11(13)18(26)24-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,22,23)(H,21,24,26)
InChIKeyOALATGFYIPGGHY-UHFFFAOYSA-N
XLogP2.16
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
CID 167886339
1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70725779
(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95717074
(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 95717447
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732532
N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 136538485
5-[(R)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720339
5-[(S)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720338
1-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70763888
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one (CID 135990818) is 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one is CCCc1nc(NCc2nc3ccccc3c(=O)[nH]2)c2cnn(C)c2n1.
What is the InChIKey of 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is OALATGFYIPGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-3-6-14-22-16(12-9-20-25(2)17(12)23-14)19-10-15-21-13-8-5-4-7-11(13)18(26)24-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,22,23)(H,21,24,26).
What are the key properties of 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 349.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135990818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).