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

C13H23N5O — CID 80993763

IUPAC2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCNc1nc(CC)nc(NCC(=O)NC)c1C
InChIInChI=1S/C13H23N5O/c1-5-7-15-12-9(3)13(16-8-11(19)14-4)18-10(6-2)17-12/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyWGMUTBUWLAJDET-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.33
Rot. Bonds7

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

2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 80993763) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID80993763
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCNc1nc(CC)nc(NCC(=O)NC)c1C
InChIInChI=1S/C13H23N5O/c1-5-7-15-12-9(3)13(16-8-11(19)14-4)18-10(6-2)17-12/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyWGMUTBUWLAJDET-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-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
CID 83215295
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide (CID 80993763) is 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide is CCCNc1nc(CC)nc(NCC(=O)NC)c1C.
What is the InChIKey of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is WGMUTBUWLAJDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-15-12-9(3)13(16-8-11(19)14-4)18-10(6-2)17-12/h5-8H2,1-4H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-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-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80993763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).