2-methyl-1H-quinazoline-2,4-diamine

C9H12N4 — CID 129165867

IUPAC2-methyl-1H-quinazoline-2,4-diamine
SMILESCC1(N)N=C(N)c2ccccc2N1
InChIInChI=1S/C9H12N4/c1-9(11)12-7-5-3-2-4-6(7)8(10)13-9/h2-5,12H,11H2,1H3,(H2,10,13)
InChIKeyUSSJCXUEISEVNE-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.45
Rot. Bonds

About 2-methyl-1H-quinazoline-2,4-diamine

2-methyl-1H-quinazoline-2,4-diamine (PubChem CID 129165867) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-1H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-methyl-1H-quinazoline-2,4-diamine
PubChem CID129165867
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-methyl-1H-quinazoline-2,4-diamine
SMILESCC1(N)N=C(N)c2ccccc2N1
InChIInChI=1S/C9H12N4/c1-9(11)12-7-5-3-2-4-6(7)8(10)13-9/h2-5,12H,11H2,1H3,(H2,10,13)
InChIKeyUSSJCXUEISEVNE-UHFFFAOYSA-N
XLogP0.45
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
CID 67569975
2-butan-2-yl-1H-quinazoline-2,4-diamine
CID 172826248
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659
8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
CID 141414595
1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10859364
2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine
CID 135368389
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10970331
2-methoxy-2-methyl-1H-quinolin-4-amine;hydrochloride
CID 67834299
1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
CID 67569968
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192752
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-quinazoline-2,4-diamine?
The IUPAC name of 2-methyl-1H-quinazoline-2,4-diamine (CID 129165867) is 2-methyl-1H-quinazoline-2,4-diamine.
What is the SMILES notation for 2-methyl-1H-quinazoline-2,4-diamine?
The canonical SMILES for 2-methyl-1H-quinazoline-2,4-diamine is CC1(N)N=C(N)c2ccccc2N1.
What is the InChIKey of 2-methyl-1H-quinazoline-2,4-diamine?
The InChIKey is USSJCXUEISEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(11)12-7-5-3-2-4-6(7)8(10)13-9/h2-5,12H,11H2,1H3,(H2,10,13).
What are the key properties of 2-methyl-1H-quinazoline-2,4-diamine?
2-methyl-1H-quinazoline-2,4-diamine has a molecular weight of 176.22 g/mol, XLogP of 0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-quinazoline-2,4-diamine is sourced from PubChem (CID 129165867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).