4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C16H26N4 — CID 80992371

IUPAC4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H26N4/c1-4-14-19-15(17-3)10(2)16(20-14)18-9-13(11-5-6-11)12-7-8-12/h11-13H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyVJSUFTIXMBXVPY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.24
Rot. Bonds7

About 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80992371) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80992371
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H26N4/c1-4-14-19-15(17-3)10(2)16(20-14)18-9-13(11-5-6-11)12-7-8-12/h11-13H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyVJSUFTIXMBXVPY-UHFFFAOYSA-N
XLogP3.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106288887
1-cyclopropyl-2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 81006562
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106015127
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984810
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
2-ethyl-6-N,5-dimethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80984635
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80992371) is 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is VJSUFTIXMBXVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-14-19-15(17-3)10(2)16(20-14)18-9-13(11-5-6-11)12-7-8-12/h11-13H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).