2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C18H21Cl2N5O — CID 155089347

IUPAC2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC(C)(N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26)
InChIKeyOSTNOOSXOQHKOQ-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 155089347) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID155089347
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC(C)(N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26)
InChIKeyOSTNOOSXOQHKOQ-UHFFFAOYSA-N
XLogP3.18
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide 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-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 155089347) is 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1nc(N2CCC(C)(N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is OSTNOOSXOQHKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O/c1-10-13(11-4-3-5-12(19)14(11)20)15(16(21)26)24-17(23-10)25-8-6-18(2,22)7-9-25/h3-5H,6-9,22H2,1-2H3,(H2,21,26).
What are the key properties of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155089347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).