N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C10H11Cl2N3O2 — CID 114583075

IUPACN-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1cnc(Cl)c(Cl)c1=O)NC1CC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-5-15(10(8)17)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyGJVIXHIGABYDIY-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.22
Rot. Bonds4

About N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114583075) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114583075
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC NameN-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1cnc(Cl)c(Cl)c1=O)NC1CC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-5-15(10(8)17)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyGJVIXHIGABYDIY-UHFFFAOYSA-N
XLogP1.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
N-cyclopropyl-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 18150899
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
N-cyclopropyl-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759218
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 79401168
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114583075) is N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is O=C(CCn1cnc(Cl)c(Cl)c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is GJVIXHIGABYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-5-15(10(8)17)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16).
What are the key properties of N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 276.12 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114583075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).