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

C14H20ClN3O2 — CID 114584695

IUPAC2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C14H20ClN3O2/c1-4-14(2,3)17-11(19)8-18-12(20)7-10(15)16-13(18)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H,17,19)
InChIKeySGJUUQDWDOXBTA-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.08
Rot. Bonds5

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

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 114584695) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID114584695
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C14H20ClN3O2/c1-4-14(2,3)17-11(19)8-18-12(20)7-10(15)16-13(18)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H,17,19)
InChIKeySGJUUQDWDOXBTA-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.08
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-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 114584695) is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is SGJUUQDWDOXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-4-14(2,3)17-11(19)8-18-12(20)7-10(15)16-13(18)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 2.08, 5 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114584695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).