2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol

C19H25ClN4O — CID 57396047

IUPAC2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN(c2cc(NCc3ccc(Cl)cc3)ncn2)C1
InChIInChI=1S/C19H25ClN4O/c1-19(2,25)15-4-3-9-24(12-15)18-10-17(22-13-23-18)21-11-14-5-7-16(20)8-6-14/h5-8,10,13,15,25H,3-4,9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyZQMCDRFGFVPLBY-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.73
Rot. Bonds5

About 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol

2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol (PubChem CID 57396047) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
PubChem CID57396047
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN(c2cc(NCc3ccc(Cl)cc3)ncn2)C1
InChIInChI=1S/C19H25ClN4O/c1-19(2,25)15-4-3-9-24(12-15)18-10-17(22-13-23-18)21-11-14-5-7-16(20)8-6-14/h5-8,10,13,15,25H,3-4,9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyZQMCDRFGFVPLBY-UHFFFAOYSA-N
XLogP3.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol (CID 57396047) is 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol is CC(C)(O)C1CCCN(c2cc(NCc3ccc(Cl)cc3)ncn2)C1.
What is the InChIKey of 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol?
The InChIKey is ZQMCDRFGFVPLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-19(2,25)15-4-3-9-24(12-15)18-10-17(22-13-23-18)21-11-14-5-7-16(20)8-6-14/h5-8,10,13,15,25H,3-4,9,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol?
2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol has a molecular weight of 360.89 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 57396047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).