1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide

C17H20ClN5O — CID 76806824

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyUKLLXZJTUIFWJP-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide

1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide (PubChem CID 76806824) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
PubChem CID76806824
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyUKLLXZJTUIFWJP-UHFFFAOYSA-N
XLogP2.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
CID 58504476
1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 90789888
(3R,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 51357696
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 58504810
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-tert-butyl-N-[6-[2-(methylamino)-6-[(2R,5S)-2-methyl-5-(phenylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-yl]carbamate
CID 86659179
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-6-methylpiperidine-3-carboxylic acid
CID 75631175
(3S,6S)-N-benzyl-1-[6-chloro-2-(methylamino)pyrimidin-4-yl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 86659195
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide (CID 76806824) is 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide is CC1CCC(C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is UKLLXZJTUIFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 76806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).