2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide

C15H20ClN3O2 — CID 114584639

IUPAC2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1c(C2CC2)nc(Cl)cc1=O)NC1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-12-8-14(21)19(15(18-12)10-6-7-10)9-13(20)17-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,17,20)
InChIKeyVJTPMWIOUFWEPC-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (PubChem CID 114584639) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
PubChem CID114584639
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1c(C2CC2)nc(Cl)cc1=O)NC1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-12-8-14(21)19(15(18-12)10-6-7-10)9-13(20)17-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,17,20)
InChIKeyVJTPMWIOUFWEPC-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (CID 114584639) is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is O=C(Cn1c(C2CC2)nc(Cl)cc1=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The InChIKey is VJTPMWIOUFWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-8-14(21)19(15(18-12)10-6-7-10)9-13(20)17-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,17,20).
What are the key properties of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide has a molecular weight of 309.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 114584639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).