N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

C35H37FN8O2 — CID 143935886

IUPACN-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
SMILESC[C@H]1COCCN1C1=NC(C)(c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)NC2=C1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C35H37FN8O2/c1-24-22-45-18-17-44(24)33-29-15-16-43(34-37-19-27(36)20-38-34)21-30(29)41-35(2,42-33)26-11-13-28(14-12-26)39-31-9-6-10-32(40-31)46-23-25-7-4-3-5-8-25/h3-14,19-20,24,41H,15-18,21-23H2,1-2H3,(H,39,40)/t24-,35?/m0/s1
InChIKeyWFGUVKKWMVBBEM-FRIBFZOTSA-N
MW620.73 g/mol
LogP5.39
Rot. Bonds7

About N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (PubChem CID 143935886) has the molecular formula C35H37FN8O2 and a molecular weight of 620.73 g/mol. Its IUPAC name is N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
PubChem CID143935886
Molecular FormulaC35H37FN8O2
Molecular Weight620.73 g/mol
Exact Mass620.30
IUPAC NameN-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
SMILESC[C@H]1COCCN1C1=NC(C)(c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)NC2=C1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C35H37FN8O2/c1-24-22-45-18-17-44(24)33-29-15-16-43(34-37-19-27(36)20-38-34)21-30(29)41-35(2,42-33)26-11-13-28(14-12-26)39-31-9-6-10-32(40-31)46-23-25-7-4-3-5-8-25/h3-14,19-20,24,41H,15-18,21-23H2,1-2H3,(H,39,40)/t24-,35?/m0/s1
InChIKeyWFGUVKKWMVBBEM-FRIBFZOTSA-N
XLogP5.39
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Inixaciclib
CID 139390026
2,6-dimethylphenyl N-[4-fluoro-2-(propan-2-yloxy)phenyl]-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
CID 11842847
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxy-2-methylphenyl)-N4-methylpyrimidine-2,4-diamine
CID 25015107
4-(5-(3,6-Dihydro-2H-pyran-4-YL)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49785436
3-(6-(6-Methoxypyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908894
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The IUPAC name of N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (CID 143935886) is N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.
What is the SMILES notation for N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The canonical SMILES for N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is C[C@H]1COCCN1C1=NC(C)(c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)NC2=C1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The InChIKey is WFGUVKKWMVBBEM-FRIBFZOTSA-N. The full InChI is InChI=1S/C35H37FN8O2/c1-24-22-45-18-17-44(24)33-29-15-16-43(34-37-19-27(36)20-38-34)21-30(29)41-35(2,42-33)26-11-13-28(14-12-26)39-31-9-6-10-32(40-31)46-23-25-7-4-3-5-8-25/h3-14,19-20,24,41H,15-18,21-23H2,1-2H3,(H,39,40)/t24-,35?/m0/s1.
What are the key properties of N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine has a molecular weight of 620.73 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 143935886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).