7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine

C16H23N5 — CID 114557218

IUPAC7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C16H23N5/c1-4-7-21-14(5-6-19-21)15-18-10-11-12(17)8-16(2,3)9-13(11)20-15/h5-6,10,12H,4,7-9,17H2,1-3H3
InChIKeyULJICGNZFUGFRR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds3

About 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine

7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 114557218) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID114557218
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C16H23N5/c1-4-7-21-14(5-6-19-21)15-18-10-11-12(17)8-16(2,3)9-13(11)20-15/h5-6,10,12H,4,7-9,17H2,1-3H3
InChIKeyULJICGNZFUGFRR-UHFFFAOYSA-N
XLogP2.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 114557225
2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 103445057
2-(2-chloro-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62945881
2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62010113
2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 82788396
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557298
2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 106815188
2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62008684
3-(2-propylpyrazol-3-yl)cyclopent-2-en-1-amine
CID 65174821
6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
CID 65356455
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 114554257

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine (CID 114557218) is 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine is CCCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2N.
What is the InChIKey of 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is ULJICGNZFUGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-7-21-14(5-6-19-21)15-18-10-11-12(17)8-16(2,3)9-13(11)20-15/h5-6,10,12H,4,7-9,17H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 285.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 114557218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).