N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide

C12H16ClN3O — CID 116798496

IUPACN-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c13-12-14-7-6-10(16-12)15-11(17)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15,16,17)
InChIKeyRQSWDVOIWJOCBO-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.04
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide

N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide (PubChem CID 116798496) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
PubChem CID116798496
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c13-12-14-7-6-10(16-12)15-11(17)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15,16,17)
InChIKeyRQSWDVOIWJOCBO-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide (CID 116798496) is N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide?
The InChIKey is RQSWDVOIWJOCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-12-14-7-6-10(16-12)15-11(17)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide?
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide has a molecular weight of 253.73 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 116798496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).