N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine

C29H32N6 — CID 11597883

IUPACN-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine
SMILESC[C@H](N)c1cccc(C[C@H](C)Nc2nccc(N3CCCc4cnc(-c5ccccc5)cc43)n2)c1
InChIInChI=1S/C29H32N6/c1-20(16-22-8-6-11-24(17-22)21(2)30)33-29-31-14-13-28(34-29)35-15-7-12-25-19-32-26(18-27(25)35)23-9-4-3-5-10-23/h3-6,8-11,13-14,17-21H,7,12,15-16,30H2,1-2H3,(H,31,33,34)/t20-,21-/m0/s1
InChIKeyMWAOKKUAUSQWQM-SFTDATJTSA-N
MW464.62 g/mol
LogP5.69
Rot. Bonds7

About N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine

N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine (PubChem CID 11597883) has the molecular formula C29H32N6 and a molecular weight of 464.62 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine
PubChem CID11597883
Molecular FormulaC29H32N6
Molecular Weight464.62 g/mol
Exact Mass464.27
IUPAC NameN-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine
SMILESC[C@H](N)c1cccc(C[C@H](C)Nc2nccc(N3CCCc4cnc(-c5ccccc5)cc43)n2)c1
InChIInChI=1S/C29H32N6/c1-20(16-22-8-6-11-24(17-22)21(2)30)33-29-31-14-13-28(34-29)35-15-7-12-25-19-32-26(18-27(25)35)23-9-4-3-5-10-23/h3-6,8-11,13-14,17-21H,7,12,15-16,30H2,1-2H3,(H,31,33,34)/t20-,21-/m0/s1
InChIKeyMWAOKKUAUSQWQM-SFTDATJTSA-N
XLogP5.69
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-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

4-N-[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]-1-propan-2-ylcyclohexane-1,4-diamine
CID 154500286
propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate
CID 69398883
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
[2,2-dimethyl-1-[3-[2-[[4-[(2S)-7-phenyl-1,2,3,4-tetrahydro-1,6-naphthyridin-2-yl]pyrimidin-2-yl]amino]propyl]phenyl]propyl] carbamate
CID 69417615
2-N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-N-methyl-4-N-(3-methyl-7-phenylbenzimidazol-5-yl)pyrimidine-2,4-diamine
CID 11977629
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine
CID 11583520
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
2-N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 72999657
1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 69060256
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine (CID 11597883) is N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine is C[C@H](N)c1cccc(C[C@H](C)Nc2nccc(N3CCCc4cnc(-c5ccccc5)cc43)n2)c1.
What is the InChIKey of N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine?
The InChIKey is MWAOKKUAUSQWQM-SFTDATJTSA-N. The full InChI is InChI=1S/C29H32N6/c1-20(16-22-8-6-11-24(17-22)21(2)30)33-29-31-14-13-28(34-29)35-15-7-12-25-19-32-26(18-27(25)35)23-9-4-3-5-10-23/h3-6,8-11,13-14,17-21H,7,12,15-16,30H2,1-2H3,(H,31,33,34)/t20-,21-/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine?
N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine has a molecular weight of 464.62 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 11597883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).