4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine

C16H28N4 — CID 80935219

IUPAC4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)CC2C)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-7-11(3)9-12(13)4/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXIRCEFZRLBWNCJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.71
Rot. Bonds5

About 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80935219) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80935219
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)CC2C)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-7-11(3)9-12(13)4/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXIRCEFZRLBWNCJ-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 114506472
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
6-N-ethyl-4-N-(2-ethylcyclopropyl)-2-propylpyrimidine-4,6-diamine
CID 114110083
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80911652
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107855395
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80935219) is 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCC(C)CC2C)nc(CC)n1.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is XIRCEFZRLBWNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-7-11(3)9-12(13)4/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80935219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).