N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine

C17H17FN4O — CID 146197457

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C17H17FN4O/c1-10(12-4-6-13(18)7-5-12)20-17-14-8-16(23-3)19-9-15(14)21-11(2)22-17/h4-10H,1-3H3,(H,20,21,22)/t10-/m1/s1
InChIKeyKPKUASJRSIECLJ-SNVBAGLBSA-N
MW312.35 g/mol
LogP3.65
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197457) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197457
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C17H17FN4O/c1-10(12-4-6-13(18)7-5-12)20-17-14-8-16(23-3)19-9-15(14)21-11(2)22-17/h4-10H,1-3H3,(H,20,21,22)/t10-/m1/s1
InChIKeyKPKUASJRSIECLJ-SNVBAGLBSA-N
XLogP3.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146197457) is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine is COc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KPKUASJRSIECLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10(12-4-6-13(18)7-5-12)20-17-14-8-16(23-3)19-9-15(14)21-11(2)22-17/h4-10H,1-3H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 312.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).