2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one

C15H17N5O — CID 137264486

IUPAC2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
SMILESCc1nn(C)c(C)c1CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O/c1-9-12(10(2)20(3)19-9)8-16-15-17-13-7-5-4-6-11(13)14(21)18-15/h4-7H,8H2,1-3H3,(H2,16,17,18,21)
InChIKeyOVRATRRNLLUSGX-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.89
Rot. Bonds3

About 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one

2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one (PubChem CID 137264486) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
PubChem CID137264486
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
SMILESCc1nn(C)c(C)c1CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O/c1-9-12(10(2)20(3)19-9)8-16-15-17-13-7-5-4-6-11(13)14(21)18-15/h4-7H,8H2,1-3H3,(H2,16,17,18,21)
InChIKeyOVRATRRNLLUSGX-UHFFFAOYSA-N
XLogP1.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137054059
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 135783121
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
CID 166201526
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one (CID 137264486) is 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one is Cc1nn(C)c(C)c1CNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one?
The InChIKey is OVRATRRNLLUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-12(10(2)20(3)19-9)8-16-15-17-13-7-5-4-6-11(13)14(21)18-15/h4-7H,8H2,1-3H3,(H2,16,17,18,21).
What are the key properties of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one?
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137264486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).