2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide

C13H23N5O — CID 80994288

IUPAC2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCc1nc(NCC)c(C)c(NCC(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-5-7-10-17-12(15-6-2)9(3)13(18-10)16-8-11(19)14-4/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyNRJLNVFPEGGDSO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.33
Rot. Bonds7

About 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide

2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 80994288) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID80994288
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCc1nc(NCC)c(C)c(NCC(=O)NC)n1
InChIInChI=1S/C13H23N5O/c1-5-7-10-17-12(15-6-2)9(3)13(18-10)16-8-11(19)14-4/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyNRJLNVFPEGGDSO-UHFFFAOYSA-N
XLogP1.33
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide (CID 80994288) is 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide is CCCc1nc(NCC)c(C)c(NCC(=O)NC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is NRJLNVFPEGGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-10-17-12(15-6-2)9(3)13(18-10)16-8-11(19)14-4/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80994288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).