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

C13H19ClN4O — CID 79555514

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-4-10-16-12(14)8(2)13(17-10)18(3)7-11(19)15-9-5-6-9/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyGWPGPVDXBAUCRH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.72
Rot. Bonds5

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

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 79555514) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID79555514
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-4-10-16-12(14)8(2)13(17-10)18(3)7-11(19)15-9-5-6-9/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyGWPGPVDXBAUCRH-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334392
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80970032
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
N-cyclopropyl-2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80934592
1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978160
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112698439
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (CID 79555514) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide is CCc1nc(Cl)c(C)c(N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is GWPGPVDXBAUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-4-10-16-12(14)8(2)13(17-10)18(3)7-11(19)15-9-5-6-9/h9H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 282.77 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 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)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 79555514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).