2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

C12H17ClN4O — CID 80970032

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-3-9-16-11(13)7(2)12(17-9)14-6-10(18)15-8-4-5-8/h8H,3-6H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyZLAUOMCXDWOPHS-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.69
Rot. Bonds5

About 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 80970032) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID80970032
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-3-9-16-11(13)7(2)12(17-9)14-6-10(18)15-8-4-5-8/h8H,3-6H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyZLAUOMCXDWOPHS-UHFFFAOYSA-N
XLogP1.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 80970032) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is CCc1nc(Cl)c(C)c(NCC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is ZLAUOMCXDWOPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-3-9-16-11(13)7(2)12(17-9)14-6-10(18)15-8-4-5-8/h8H,3-6H2,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 268.75 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 80970032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).