2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

C14H25N5O — CID 80806362

IUPAC2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(C)nc(NCC)n1
InChIInChI=1S/C14H25N5O/c1-6-8-19(10-13(20)18(4)5)12-9-11(3)16-14(17-12)15-7-2/h9H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyYSCQBBGWWJLBNH-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.52
Rot. Bonds7

About 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 80806362) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID80806362
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(C)nc(NCC)n1
InChIInChI=1S/C14H25N5O/c1-6-8-19(10-13(20)18(4)5)12-9-11(3)16-14(17-12)15-7-2/h9H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyYSCQBBGWWJLBNH-UHFFFAOYSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (CID 80806362) is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(C)nc(NCC)n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is YSCQBBGWWJLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-8-19(10-13(20)18(4)5)12-9-11(3)16-14(17-12)15-7-2/h9H,6-8,10H2,1-5H3,(H,15,16,17).
What are the key properties of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).