N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide

C16H24N4O — CID 72717997

IUPACN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h8-9,13H,1-7,10-12H2,(H,18,21)
InChIKeyACAAKIBKVGTLRH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 72717997) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
PubChem CID72717997
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h8-9,13H,1-7,10-12H2,(H,18,21)
InChIKeyACAAKIBKVGTLRH-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122318528
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 122318847
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966542

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide (CID 72717997) is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide is O=C(NCc1nccc(N2CCCC2)n1)C1CCCCC1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is ACAAKIBKVGTLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h8-9,13H,1-7,10-12H2,(H,18,21).
What are the key properties of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide?
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 72717997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).