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

C17H29N3O — CID 80871703

IUPAC6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3O/c1-5-7-15-16(18-6-2)19-11-20-17(15)21-14-9-12(3)8-13(4)10-14/h11-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyXIAGZECUUQDQHG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.06
Rot. Bonds6

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

6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80871703) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80871703
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3O/c1-5-7-15-16(18-6-2)19-11-20-17(15)21-14-9-12(3)8-13(4)10-14/h11-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyXIAGZECUUQDQHG-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
CID 80880199
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
CID 80858878
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80878317
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine (CID 80871703) is 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OC1CC(C)CC(C)C1.
What is the InChIKey of 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is XIAGZECUUQDQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-7-15-16(18-6-2)19-11-20-17(15)21-14-9-12(3)8-13(4)10-14/h11-14H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine?
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80871703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).