2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C15H17ClN4 — CID 103445057

IUPAC2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3ncccc3Cl)ncc2C(N)C1
InChIInChI=1S/C15H17ClN4/c1-15(2)6-11(17)9-8-19-14(20-12(9)7-15)13-10(16)4-3-5-18-13/h3-5,8,11H,6-7,17H2,1-2H3
InChIKeyWGLQOPIYRZSAGF-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.16
Rot. Bonds1

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

2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 103445057) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID103445057
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3ncccc3Cl)ncc2C(N)C1
InChIInChI=1S/C15H17ClN4/c1-15(2)6-11(17)9-8-19-14(20-12(9)7-15)13-10(16)4-3-5-18-13/h3-5,8,11H,6-7,17H2,1-2H3
InChIKeyWGLQOPIYRZSAGF-UHFFFAOYSA-N
XLogP3.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 103445057) is 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(-c3ncccc3Cl)ncc2C(N)C1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is WGLQOPIYRZSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-15(2)6-11(17)9-8-19-14(20-12(9)7-15)13-10(16)4-3-5-18-13/h3-5,8,11H,6-7,17H2,1-2H3.
What are the key properties of 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 288.78 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 103445057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).