2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide

C9H11ClN4O2 — CID 114582836

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11ClN4O2/c10-8-7(11)9(16)14(4-12-8)3-6(15)13-5-1-2-5/h4-5H,1-3,11H2,(H,13,15)
InChIKeyZXLCHQFKOVLWJZ-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.24
Rot. Bonds3

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (PubChem CID 114582836) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
PubChem CID114582836
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11ClN4O2/c10-8-7(11)9(16)14(4-12-8)3-6(15)13-5-1-2-5/h4-5H,1-3,11H2,(H,13,15)
InChIKeyZXLCHQFKOVLWJZ-UHFFFAOYSA-N
XLogP-0.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 114582727
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 38858482
3-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 45395953
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (CID 114582836) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is Nc1c(Cl)ncn(CC(=O)NC2CC2)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The InChIKey is ZXLCHQFKOVLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-8-7(11)9(16)14(4-12-8)3-6(15)13-5-1-2-5/h4-5H,1-3,11H2,(H,13,15).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide has a molecular weight of 242.67 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 114582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).