N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

C16H27N3O — CID 115975097

IUPACN-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC1CCC(CCNc2nccc(OC(C)C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)20-15-9-11-18-16(19-15)17-10-8-14-6-4-13(3)5-7-14/h9,11-14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyPVENMKYTLXLTBJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975097) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975097
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC1CCC(CCNc2nccc(OC(C)C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)20-15-9-11-18-16(19-15)17-10-8-14-6-4-13(3)5-7-14/h9,11-14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyPVENMKYTLXLTBJ-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-(2-methyloxolan-3-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638391
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (CID 115975097) is N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is CC1CCC(CCNc2nccc(OC(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is PVENMKYTLXLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)20-15-9-11-18-16(19-15)17-10-8-14-6-4-13(3)5-7-14/h9,11-14H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).