2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine

C17H29N3 — CID 65390273

IUPAC2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C)(C)CC2)nc(C)c1CC
InChIInChI=1S/C17H29N3/c1-6-14-12(3)19-15(20-16(14)18-7-2)13-8-10-17(4,5)11-9-13/h13H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyYPYRSCZPGIFEIG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.46
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 65390273) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID65390273
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C)(C)CC2)nc(C)c1CC
InChIInChI=1S/C17H29N3/c1-6-14-12(3)19-15(20-16(14)18-7-2)13-8-10-17(4,5)11-9-13/h13H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyYPYRSCZPGIFEIG-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diethyl-6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402188
3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65389885
5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300704
N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388492
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 80977208
2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65390475
N,5-diethyl-6-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 63485933
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65144312

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 65390273) is 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(C2CCC(C)(C)CC2)nc(C)c1CC.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is YPYRSCZPGIFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-14-12(3)19-15(20-16(14)18-7-2)13-8-10-17(4,5)11-9-13/h13H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 65390273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).