(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C18H25ClN4O — CID 59388135

IUPAC(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N
InChIInChI=1S/C18H25ClN4O/c1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21)/t14?,18-/m0/s1
InChIKeyQBZYMKGMCPLQRJ-IBYPIGCZSA-N
MW348.88 g/mol
LogP2.49
Rot. Bonds3

About (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388135) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388135
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N
InChIInChI=1S/C18H25ClN4O/c1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21)/t14?,18-/m0/s1
InChIKeyQBZYMKGMCPLQRJ-IBYPIGCZSA-N
XLogP2.49
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one 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

(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248201
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(3-chloro-4-iodophenyl)piperidine-1-carboxamide
CID 67577124
2-[(3-chlorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114973
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
(6S)-2-amino-6-[5-[(1-benzylpiperidin-3-yl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497064
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
ethyl 4-[1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920591
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75870689

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388135) is (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(Cc3cccc(Cl)c3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is QBZYMKGMCPLQRJ-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-18(10-16(24)22(2)17(20)21-18)14-6-4-8-23(12-14)11-13-5-3-7-15(19)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H2,20,21)/t14?,18-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 348.88 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).