6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine

C16H16FN5 — CID 163369445

IUPAC6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(-c3cc(N)c(C)cc3F)c(C)nc2n1
InChIInChI=1S/C16H16FN5/c1-8-4-13(17)12(6-14(8)18)11-5-10-7-20-16(19-3)22-15(10)21-9(11)2/h4-7H,18H2,1-3H3,(H,19,20,21,22)
InChIKeyBSSPZBPTTWAPJF-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.07
Rot. Bonds2

About 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine

6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 163369445) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID163369445
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(-c3cc(N)c(C)cc3F)c(C)nc2n1
InChIInChI=1S/C16H16FN5/c1-8-4-13(17)12(6-14(8)18)11-5-10-7-20-16(19-3)22-15(10)21-9(11)2/h4-7H,18H2,1-3H3,(H,19,20,21,22)
InChIKeyBSSPZBPTTWAPJF-UHFFFAOYSA-N
XLogP3.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 86697012
1-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(3,3-dimethylbutyl)urea
CID 71730950
5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369387
benzyl 2-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]anilino]-2-oxoacetate
CID 155262780
N-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide
CID 155253621
N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide
CID 155262791
5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369135
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-4-fluorophenyl]-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 163369489
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80846756
1-[2-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-isocyano-3-methylbutyl)urea
CID 123638818

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine (CID 163369445) is 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine is CNc1ncc2cc(-c3cc(N)c(C)cc3F)c(C)nc2n1.
What is the InChIKey of 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is BSSPZBPTTWAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-8-4-13(17)12(6-14(8)18)11-5-10-7-20-16(19-3)22-15(10)21-9(11)2/h4-7H,18H2,1-3H3,(H,19,20,21,22).
What are the key properties of 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluoro-4-methylphenyl)-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163369445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).