3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea

C13H24N6O — CID 83118046

IUPAC3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCc1nc(NC)c(C)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C13H24N6O/c1-6-10-17-11(14-3)9(2)12(18-10)15-7-8-16-13(20)19(4)5/h6-8H2,1-5H3,(H,16,20)(H2,14,15,17,18)
InChIKeyZZLNPZDIQGXMMH-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.07
Rot. Bonds6

About 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea

3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83118046) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
PubChem CID83118046
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCc1nc(NC)c(C)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C13H24N6O/c1-6-10-17-11(14-3)9(2)12(18-10)15-7-8-16-13(20)19(4)5/h6-8H2,1-5H3,(H,16,20)(H2,14,15,17,18)
InChIKeyZZLNPZDIQGXMMH-UHFFFAOYSA-N
XLogP1.07
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234
6-(2,2-dimethylhydrazinyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 83026946
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280710
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
3-[2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112527
N-[2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80993574
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523193

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea (CID 83118046) is 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea is CCc1nc(NC)c(C)c(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is ZZLNPZDIQGXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-6-10-17-11(14-3)9(2)12(18-10)15-7-8-16-13(20)19(4)5/h6-8H2,1-5H3,(H,16,20)(H2,14,15,17,18).
What are the key properties of 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 280.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).