3-cyclohexyl-N-pyrimidin-2-ylpropanamide

C13H19N3O — CID 4601978

IUPAC3-cyclohexyl-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncccn1
InChIInChI=1S/C13H19N3O/c17-12(16-13-14-9-4-10-15-13)8-7-11-5-2-1-3-6-11/h4,9-11H,1-3,5-8H2,(H,14,15,16,17)
InChIKeyDFSHUKBHKYHVTC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds4

About 3-cyclohexyl-N-pyrimidin-2-ylpropanamide

3-cyclohexyl-N-pyrimidin-2-ylpropanamide (PubChem CID 4601978) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-cyclohexyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-pyrimidin-2-ylpropanamide
PubChem CID4601978
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-cyclohexyl-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncccn1
InChIInChI=1S/C13H19N3O/c17-12(16-13-14-9-4-10-15-13)8-7-11-5-2-1-3-6-11/h4,9-11H,1-3,5-8H2,(H,14,15,16,17)
InChIKeyDFSHUKBHKYHVTC-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-2-yladamantane-1-carboxamide
CID 331249
N-(pyrimidin-2-yl)cyclohexanecarboxamide
CID 819233
N-pyrimidin-2-ylundec-10-enamide
CID 1725648
Cyclohexyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 727067
N-(pyrimidin-2-yl)dodecanamide
CID 4599879
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-(2-pyrimidyl) butanamide
CID 4220870
N-(pyrimidin-2-yl)hexanamide
CID 4250539
3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196
3-oxo-N-pyrimidin-2-yldodecanamide
CID 25129599
N-pyrimidin-4-yldodecanamide
CID 117976156
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-cyclohexyl-N-pyrimidin-2-ylpropanamide (CID 4601978) is 3-cyclohexyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-pyrimidin-2-ylpropanamide is O=C(CCC1CCCCC1)Nc1ncccn1.
What is the InChIKey of 3-cyclohexyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is DFSHUKBHKYHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12(16-13-14-9-4-10-15-13)8-7-11-5-2-1-3-6-11/h4,9-11H,1-3,5-8H2,(H,14,15,16,17).
What are the key properties of 3-cyclohexyl-N-pyrimidin-2-ylpropanamide?
3-cyclohexyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 4601978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).