(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

C17H19N7S — CID 52511209

IUPAC(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESc1cnc(-c2nc(CN[C@@H]3CCCN(c4ncccn4)C3)cs2)nc1
InChIInChI=1S/C17H19N7S/c1-4-13(11-24(9-1)17-20-7-3-8-21-17)22-10-14-12-25-16(23-14)15-18-5-2-6-19-15/h2-3,5-8,12-13,22H,1,4,9-11H2/t13-/m1/s1
InChIKeyOSKQCDWXRKXFBQ-CYBMUJFWSA-N
MW353.46 g/mol
LogP2.15
Rot. Bonds5

About (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 52511209) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
PubChem CID52511209
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESc1cnc(-c2nc(CN[C@@H]3CCCN(c4ncccn4)C3)cs2)nc1
InChIInChI=1S/C17H19N7S/c1-4-13(11-24(9-1)17-20-7-3-8-21-17)22-10-14-12-25-16(23-14)15-18-5-2-6-19-15/h2-3,5-8,12-13,22H,1,4,9-11H2/t13-/m1/s1
InChIKeyOSKQCDWXRKXFBQ-CYBMUJFWSA-N
XLogP2.15
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-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

1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728851
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124813528
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
4-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 50962392
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (CID 52511209) is (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is c1cnc(-c2nc(CN[C@@H]3CCCN(c4ncccn4)C3)cs2)nc1.
What is the InChIKey of (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is OSKQCDWXRKXFBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N7S/c1-4-13(11-24(9-1)17-20-7-3-8-21-17)22-10-14-12-25-16(23-14)15-18-5-2-6-19-15/h2-3,5-8,12-13,22H,1,4,9-11H2/t13-/m1/s1.
What are the key properties of (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 353.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 52511209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).