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

C16H14F2N4 — CID 175846199

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2ccc(F)c(F)c2)c2ccncc2n1
InChIInChI=1S/C16H14F2N4/c1-9(11-3-4-13(17)14(18)7-11)20-16-12-5-6-19-8-15(12)21-10(2)22-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m1/s1
InChIKeyGTXWYXPKHLQGFN-SECBINFHSA-N
MW300.31 g/mol
LogP3.78
Rot. Bonds3

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

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 175846199) has the molecular formula C16H14F2N4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID175846199
Molecular FormulaC16H14F2N4
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2ccc(F)c(F)c2)c2ccncc2n1
InChIInChI=1S/C16H14F2N4/c1-9(11-3-4-13(17)14(18)7-11)20-16-12-5-6-19-8-15(12)21-10(2)22-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m1/s1
InChIKeyGTXWYXPKHLQGFN-SECBINFHSA-N
XLogP3.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethylpyrido[3,4-d]pyrimidin-4-amine
CID 88990244
N-[(3R)-1-[4-[1-(3,4-difluorophenyl)ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
CID 175335378
3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678568
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-6,7-diol;methane
CID 167597464
N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133407621
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 166177652
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
N-[1-(3-chlorophenyl)ethyl]-2,6-dimethylquinazolin-4-amine
CID 135336392
[4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-methylquinazolin-6-yl]methanol
CID 163250679

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 175846199) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2ccc(F)c(F)c2)c2ccncc2n1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is GTXWYXPKHLQGFN-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F2N4/c1-9(11-3-4-13(17)14(18)7-11)20-16-12-5-6-19-8-15(12)21-10(2)22-16/h3-9H,1-2H3,(H,20,21,22)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 300.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175846199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).