N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride

C15H14ClFN4 — CID 22460838

IUPACN-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cn1.Cl
InChIInChI=1S/C15H13FN4.ClH/c1-9-5-11(3-4-13(9)16)20-15-12-6-10(2)17-7-14(12)18-8-19-15;/h3-8H,1-2H3,(H,18,19,20);1H
InChIKeyKHEYWDNIEMRBQT-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.95
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride

N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 22460838) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID22460838
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC NameN-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cn1.Cl
InChIInChI=1S/C15H13FN4.ClH/c1-9-5-11(3-4-13(9)16)20-15-12-6-10(2)17-7-14(12)18-8-19-15;/h3-8H,1-2H3,(H,18,19,20);1H
InChIKeyKHEYWDNIEMRBQT-UHFFFAOYSA-N
XLogP3.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
4-(dimethylamino)-N-[4-(4-fluoro-3-methylanilino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
CID 91280354
N-(3-ethynylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine
CID 22460851
2-chloro-2-fluoroacetaldehyde;4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342889
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
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
CID 164975823
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride (CID 22460838) is N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride is Cc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cn1.Cl.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is KHEYWDNIEMRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4.ClH/c1-9-5-11(3-4-13(9)16)20-15-12-6-10(2)17-7-14(12)18-8-19-15;/h3-8H,1-2H3,(H,18,19,20);1H.
What are the key properties of N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 304.76 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 22460838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).