6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine

C17H29N3O — CID 80943941

IUPAC6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(OC2CCCC(C)C2)nc(CCC)n1
InChIInChI=1S/C17H29N3O/c1-4-7-15-19-16(18-10-5-2)12-17(20-15)21-14-9-6-8-13(3)11-14/h12-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyJKEQFUVCGRPXPX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds7

About 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine

6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine (PubChem CID 80943941) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine
PubChem CID80943941
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(OC2CCCC(C)C2)nc(CCC)n1
InChIInChI=1S/C17H29N3O/c1-4-7-15-19-16(18-10-5-2)12-17(20-15)21-14-9-6-8-13(3)11-14/h12-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyJKEQFUVCGRPXPX-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxycyclohexyl)oxy-N-methyl-2-propylpyrimidin-4-amine
CID 80949561
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719671
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
CID 102741401
[2-ethyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80939554
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834
6-cyclobutyloxy-N-ethylpyrimidin-4-amine
CID 80873769
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine (CID 80943941) is 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(OC2CCCC(C)C2)nc(CCC)n1.
What is the InChIKey of 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine?
The InChIKey is JKEQFUVCGRPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-7-15-19-16(18-10-5-2)12-17(20-15)21-14-9-6-8-13(3)11-14/h12-14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine?
6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80943941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).