2-N-methylquinazoline-2,7-diamine

C9H10N4 — CID 163482981

IUPAC2-N-methylquinazoline-2,7-diamine
SMILESCNc1ncc2ccc(N)cc2n1
InChIInChI=1S/C9H10N4/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,10H2,1H3,(H,11,12,13)
InChIKeyCGDXWBXTJQPOGY-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.25
Rot. Bonds1

About 2-N-methylquinazoline-2,7-diamine

2-N-methylquinazoline-2,7-diamine (PubChem CID 163482981) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-N-methylquinazoline-2,7-diamine.

Molecular Properties

Compound Name2-N-methylquinazoline-2,7-diamine
PubChem CID163482981
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-N-methylquinazoline-2,7-diamine
SMILESCNc1ncc2ccc(N)cc2n1
InChIInChI=1S/C9H10N4/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,10H2,1H3,(H,11,12,13)
InChIKeyCGDXWBXTJQPOGY-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-bromo-N-methylquinazolin-2-amine
CID 118107797
2-methylquinazolin-7-amine
CID 59164781
methanethiol;quinazolin-7-amine
CID 156844903
N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
CID 142584876
2-pyridin-2-ylquinazolin-7-amine
CID 163221690
N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine
CID 155253664
3-(5-amino-2-methylphenyl)-1-methyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 156806497
1-[4-methyl-3-[2-[2-(methylamino)quinazolin-7-yl]ethynyl]phenyl]ethanone
CID 144587163
2-[2-fluoro-6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]-1,3-benzothiazol-6-amine
CID 146253077
9,10-dimethylphenanthridin-3-amine
CID 160985483
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide
CID 175553533

Frequently Asked Questions

What is the IUPAC name of 2-N-methylquinazoline-2,7-diamine?
The IUPAC name of 2-N-methylquinazoline-2,7-diamine (CID 163482981) is 2-N-methylquinazoline-2,7-diamine.
What is the SMILES notation for 2-N-methylquinazoline-2,7-diamine?
The canonical SMILES for 2-N-methylquinazoline-2,7-diamine is CNc1ncc2ccc(N)cc2n1.
What is the InChIKey of 2-N-methylquinazoline-2,7-diamine?
The InChIKey is CGDXWBXTJQPOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,10H2,1H3,(H,11,12,13).
What are the key properties of 2-N-methylquinazoline-2,7-diamine?
2-N-methylquinazoline-2,7-diamine has a molecular weight of 174.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylquinazoline-2,7-diamine is sourced from PubChem (CID 163482981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).