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

C11H15ClN4O — CID 63728145

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCc1c(Cl)ncnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)16(2)5-9(17)15-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,15,17)
InChIKeyKVXQDKYIMJGUNG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.15
Rot. Bonds4

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

2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 63728145) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID63728145
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCc1c(Cl)ncnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)16(2)5-9(17)15-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,15,17)
InChIKeyKVXQDKYIMJGUNG-UHFFFAOYSA-N
XLogP1.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (CID 63728145) is 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide is Cc1c(Cl)ncnc1N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is KVXQDKYIMJGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)16(2)5-9(17)15-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 63728145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).