3-benzyl-4-methyl-4H-quinazolin-2-amine

C16H17N3 — CID 12628950

IUPAC3-benzyl-4-methyl-4H-quinazolin-2-amine
SMILESCC1c2ccccc2N=C(N)N1Cc1ccccc1
InChIInChI=1S/C16H17N3/c1-12-14-9-5-6-10-15(14)18-16(17)19(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18)
InChIKeyRRQNDVQKEYNECU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.21
Rot. Bonds2

About 3-benzyl-4-methyl-4H-quinazolin-2-amine

3-benzyl-4-methyl-4H-quinazolin-2-amine (PubChem CID 12628950) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-benzyl-4-methyl-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-benzyl-4-methyl-4H-quinazolin-2-amine
PubChem CID12628950
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-benzyl-4-methyl-4H-quinazolin-2-amine
SMILESCC1c2ccccc2N=C(N)N1Cc1ccccc1
InChIInChI=1S/C16H17N3/c1-12-14-9-5-6-10-15(14)18-16(17)19(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18)
InChIKeyRRQNDVQKEYNECU-UHFFFAOYSA-N
XLogP3.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-phenyl-4H-quinazolin-2-amine
CID 12628948
3-methyl-3H-indol-2-amine
CID 59934955
1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79498143
1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
CID 141084950
5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
CID 79973555
1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
CID 79506049
1-benzyl-4-methyltetrazol-4-ium-5-amine
CID 130156034
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole
CID 174979236
10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one
CID 86098529
4-chloro-3-methyl-2-phenyl-4H-quinazoline
CID 145198761
1-benzyl-4-methyltetrazol-4-ium-5-amine chloride
CID 130156033

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-4H-quinazolin-2-amine?
The IUPAC name of 3-benzyl-4-methyl-4H-quinazolin-2-amine (CID 12628950) is 3-benzyl-4-methyl-4H-quinazolin-2-amine.
What is the SMILES notation for 3-benzyl-4-methyl-4H-quinazolin-2-amine?
The canonical SMILES for 3-benzyl-4-methyl-4H-quinazolin-2-amine is CC1c2ccccc2N=C(N)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-4H-quinazolin-2-amine?
The InChIKey is RRQNDVQKEYNECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-14-9-5-6-10-15(14)18-16(17)19(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18).
What are the key properties of 3-benzyl-4-methyl-4H-quinazolin-2-amine?
3-benzyl-4-methyl-4H-quinazolin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-4H-quinazolin-2-amine is sourced from PubChem (CID 12628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).