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

C10H12ClN3O2 — CID 114582374

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NCC1CC1
InChIInChI=1S/C10H12ClN3O2/c11-8-3-10(16)14(6-13-8)5-9(15)12-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,12,15)
InChIKeyJWOMENAXJNEAJY-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.42
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 114582374) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID114582374
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NCC1CC1
InChIInChI=1S/C10H12ClN3O2/c11-8-3-10(16)14(6-13-8)5-9(15)12-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,12,15)
InChIKeyJWOMENAXJNEAJY-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide (CID 114582374) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide is O=C(Cn1cnc(Cl)cc1=O)NCC1CC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is JWOMENAXJNEAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-3-10(16)14(6-13-8)5-9(15)12-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,12,15).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 241.68 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 114582374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).