3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine

C13H13N5 — CID 114789635

IUPAC3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine
SMILESCc1nn(-c2ncc3ccccc3n2)c(C)c1N
InChIInChI=1S/C13H13N5/c1-8-12(14)9(2)18(17-8)13-15-7-10-5-3-4-6-11(10)16-13/h3-7H,14H2,1-2H3
InChIKeyQRANVWFDQITJHV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds1

About 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine

3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine (PubChem CID 114789635) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine
PubChem CID114789635
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine
SMILESCc1nn(-c2ncc3ccccc3n2)c(C)c1N
InChIInChI=1S/C13H13N5/c1-8-12(14)9(2)18(17-8)13-15-7-10-5-3-4-6-11(10)16-13/h3-7H,14H2,1-2H3
InChIKeyQRANVWFDQITJHV-UHFFFAOYSA-N
XLogP2.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
CID 114789669
2-methylquinazoline
CID 588987
2-methylquinazoline;platinum
CID 140601163
ethane;2-methylquinazoline
CID 176988292
3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-amine
CID 62771650
3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
CID 39365314
(1-quinazolin-2-ylazetidin-3-yl)methanamine
CID 114789950
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
3-methyl-1-quinolin-2-ylpyrazolo[5,4-b]pyridin-5-amine
CID 82043940

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine (CID 114789635) is 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine is Cc1nn(-c2ncc3ccccc3n2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine?
The InChIKey is QRANVWFDQITJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-12(14)9(2)18(17-8)13-15-7-10-5-3-4-6-11(10)16-13/h3-7H,14H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine?
3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine is sourced from PubChem (CID 114789635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).