2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide

C12H19ClN4O — CID 80935631

IUPAC2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)nc(CC)n1
InChIInChI=1S/C12H19ClN4O/c1-4-6-14-12(18)8-17(3)11-7-9(13)15-10(5-2)16-11/h7H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyFTBNKDKWOOCPLY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.65
Rot. Bonds6

About 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 80935631) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID80935631
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)nc(CC)n1
InChIInChI=1S/C12H19ClN4O/c1-4-6-14-12(18)8-17(3)11-7-9(13)15-10(5-2)16-11/h7H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyFTBNKDKWOOCPLY-UHFFFAOYSA-N
XLogP1.65
TPSA58.12 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80940171
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 113409410
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 80935631) is 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(Cl)nc(CC)n1.
What is the InChIKey of 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is FTBNKDKWOOCPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-6-14-12(18)8-17(3)11-7-9(13)15-10(5-2)16-11/h7H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 80935631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).