2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide

C19H34N6O2 — CID 71850300

IUPAC2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(CC)cc(N(CCC)CC(=O)NC)n1
InChIInChI=1S/C19H34N6O2/c1-6-9-24(13-18(26)20-4)12-16-22-15(8-3)11-17(23-16)25(10-7-2)14-19(27)21-5/h11H,6-10,12-14H2,1-5H3,(H,20,26)(H,21,27)
InChIKeyJGUFSQQKOUHMTL-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.96
Rot. Bonds12

About 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide

2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide (PubChem CID 71850300) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide
PubChem CID71850300
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(CC)cc(N(CCC)CC(=O)NC)n1
InChIInChI=1S/C19H34N6O2/c1-6-9-24(13-18(26)20-4)12-16-22-15(8-3)11-17(23-16)25(10-7-2)14-19(27)21-5/h11H,6-10,12-14H2,1-5H3,(H,20,26)(H,21,27)
InChIKeyJGUFSQQKOUHMTL-UHFFFAOYSA-N
XLogP0.96
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide (CID 71850300) is 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1nc(CC)cc(N(CCC)CC(=O)NC)n1.
What is the InChIKey of 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide?
The InChIKey is JGUFSQQKOUHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-6-9-24(13-18(26)20-4)12-16-22-15(8-3)11-17(23-16)25(10-7-2)14-19(27)21-5/h11H,6-10,12-14H2,1-5H3,(H,20,26)(H,21,27).
What are the key properties of 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide?
2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide has a molecular weight of 378.52 g/mol, XLogP of 0.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyrimidin-2-yl]methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 71850300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).