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

C16H28N4 — CID 80984810

IUPAC4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-6-13-19-14(17-5)11(2)15(20-13)18-12-7-9-16(3,4)10-8-12/h12H,6-10H2,1-5H3,(H2,17,18,19,20)
InChIKeyDZVQKFYSULRETN-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.77
Rot. Bonds4

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

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984810) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984810
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-6-13-19-14(17-5)11(2)15(20-13)18-12-7-9-16(3,4)10-8-12/h12H,6-10H2,1-5H3,(H2,17,18,19,20)
InChIKeyDZVQKFYSULRETN-UHFFFAOYSA-N
XLogP3.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80978454
4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114542178
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981415
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736034
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80986945
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992371

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80984810) is 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DZVQKFYSULRETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-13-19-14(17-5)11(2)15(20-13)18-12-7-9-16(3,4)10-8-12/h12H,6-10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).