2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide

C16H26N4O — CID 71830697

IUPAC2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-4-8-17-15(21)14-11-13(12(2)3)18-16(19-14)20-9-6-5-7-10-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyYBIIPESPCDOOPN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds5

About 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide

2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide (PubChem CID 71830697) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
PubChem CID71830697
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-4-8-17-15(21)14-11-13(12(2)3)18-16(19-14)20-9-6-5-7-10-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyYBIIPESPCDOOPN-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707
N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945576
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 91948480
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416235
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319143
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide (CID 71830697) is 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The InChIKey is YBIIPESPCDOOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-8-17-15(21)14-11-13(12(2)3)18-16(19-14)20-9-6-5-7-10-20/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide?
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 71830697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).