6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine

C17H29N3O — CID 80991257

IUPAC6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OC2CCC(C)C(C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-8-11(3)12(4)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyLDUJSYGQKNYBPQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds5

About 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine

6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80991257) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80991257
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OC2CCC(C)C(C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-8-11(3)12(4)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyLDUJSYGQKNYBPQ-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-6-(oxan-4-yloxy)-2-propylpyrimidin-4-amine
CID 80990812
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
[2-ethyl-6-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 81000204
2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80991118
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80988665
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
2-ethyl-5-methyl-6-(4-methylcyclohexyl)oxypyrimidin-4-amine
CID 80989537
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80991257) is 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(OC2CCC(C)C(C)C2)c1C.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is LDUJSYGQKNYBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-15-19-16(18-7-2)13(5)17(20-15)21-14-9-8-11(3)12(4)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80991257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).