2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

C12H19ClN4O — CID 55231039

IUPAC2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCCc1c(Cl)ncnc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H19ClN4O/c1-4-9-11(13)15-7-16-12(9)17(5-8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18)
InChIKeyPSXLEYVUURAJDB-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.64
Rot. Bonds6

About 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 55231039) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
PubChem CID55231039
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCCc1c(Cl)ncnc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H19ClN4O/c1-4-9-11(13)15-7-16-12(9)17(5-8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18)
InChIKeyPSXLEYVUURAJDB-UHFFFAOYSA-N
XLogP1.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.64
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-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (CID 55231039) is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is CCc1c(Cl)ncnc1N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is PSXLEYVUURAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-9-11(13)15-7-16-12(9)17(5-8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18).
What are the key properties of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 55231039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).