3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C12H16ClN3O2 — CID 114584749

IUPAC3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H16ClN3O2/c1-2-14-10(17)5-6-16-11(18)7-9(13)15-12(16)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyDDOXQNUZAZKHGV-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.30
Rot. Bonds5

About 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114584749) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114584749
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H16ClN3O2/c1-2-14-10(17)5-6-16-11(18)7-9(13)15-12(16)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyDDOXQNUZAZKHGV-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114584749) is 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is DDOXQNUZAZKHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-14-10(17)5-6-16-11(18)7-9(13)15-12(16)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,17).
What are the key properties of 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 269.73 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114584749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).