4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine

C16H15FN4 — CID 142342890

IUPAC4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3ccc(F)c(C)c3)c2c1
InChIInChI=1S/C16H15FN4/c1-10-7-12(3-5-14(10)17)21-16-13-8-11(18-2)4-6-15(13)19-9-20-16/h3-9,18H,1-2H3,(H,19,20,21)
InChIKeyLWZMZDYLPWXYGH-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.86
Rot. Bonds3

About 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine

4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine (PubChem CID 142342890) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
PubChem CID142342890
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3ccc(F)c(C)c3)c2c1
InChIInChI=1S/C16H15FN4/c1-10-7-12(3-5-14(10)17)21-16-13-8-11(18-2)4-6-15(13)19-9-20-16/h3-9,18H,1-2H3,(H,19,20,21)
InChIKeyLWZMZDYLPWXYGH-UHFFFAOYSA-N
XLogP3.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-2-fluoroacetaldehyde;4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342889
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 22460838
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944
N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
CID 19365861
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine (CID 142342890) is 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine is CNc1ccc2ncnc(Nc3ccc(F)c(C)c3)c2c1.
What is the InChIKey of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine?
The InChIKey is LWZMZDYLPWXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10-7-12(3-5-14(10)17)21-16-13-8-11(18-2)4-6-15(13)19-9-20-16/h3-9,18H,1-2H3,(H,19,20,21).
What are the key properties of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine?
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine is sourced from PubChem (CID 142342890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).