2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide

C13H23N5O — CID 80987036

IUPAC2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCc1nc(NC)c(C)c(N(CC)CC(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-12(15-5)9(3)13(17-10)18(7-2)8-11(19)14-4/h6-8H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyRSNPRKCARCQOBZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.96
Rot. Bonds6

About 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide

2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 80987036) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID80987036
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCc1nc(NC)c(C)c(N(CC)CC(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-6-10-16-12(15-5)9(3)13(17-10)18(7-2)8-11(19)14-4/h6-8H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyRSNPRKCARCQOBZ-UHFFFAOYSA-N
XLogP0.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80982412
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-propan-2-ylacetamide
CID 80805162
N-methyl-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 106918503
N-ethyl-2-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80987499
4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80985864
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80994953
4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80976304
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide (CID 80987036) is 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide is CCc1nc(NC)c(C)c(N(CC)CC(=O)NC)n1.
What is the InChIKey of 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is RSNPRKCARCQOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-10-16-12(15-5)9(3)13(17-10)18(7-2)8-11(19)14-4/h6-8H2,1-5H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80987036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).