N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine

C16H27N3O2 — CID 80880199

IUPACN-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC1CCCC(OC)C1
InChIInChI=1S/C16H27N3O2/c1-4-7-14-15(17-5-2)18-11-19-16(14)21-13-9-6-8-12(10-13)20-3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYOMRRDVHMWRNQX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.20
Rot. Bonds7

About N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine

N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine (PubChem CID 80880199) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
PubChem CID80880199
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC1CCCC(OC)C1
InChIInChI=1S/C16H27N3O2/c1-4-7-14-15(17-5-2)18-11-19-16(14)21-13-9-6-8-12(10-13)20-3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYOMRRDVHMWRNQX-UHFFFAOYSA-N
XLogP3.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80871703
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-ethyl-4-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80877178
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
(6-cyclohexyloxy-5-ethylpyrimidin-4-yl)hydrazine
CID 80910051
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine (CID 80880199) is N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OC1CCCC(OC)C1.
What is the InChIKey of N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine?
The InChIKey is YOMRRDVHMWRNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-7-14-15(17-5-2)18-11-19-16(14)21-13-9-6-8-12(10-13)20-3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine?
N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80880199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).