N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine

C15H25N3O — CID 66330206

IUPACN-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C15H25N3O/c1-4-5-19-15-9-14(16-10-17-15)18-13-7-11(2)6-12(3)8-13/h9-13H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyMYSRKRVRDVBXBH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds5

About N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine

N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine (PubChem CID 66330206) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
PubChem CID66330206
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C15H25N3O/c1-4-5-19-15-9-14(16-10-17-15)18-13-7-11(2)6-12(3)8-13/h9-13H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyMYSRKRVRDVBXBH-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
CID 66331387
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
CID 114156242
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
CID 114632753
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
N-(3-chloro-2,2-dimethylcyclobutyl)-6-propoxypyrimidin-4-amine
CID 114632018
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099
4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80842021
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine (CID 66330206) is N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NC2CC(C)CC(C)C2)ncn1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine?
The InChIKey is MYSRKRVRDVBXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-19-15-9-14(16-10-17-15)18-13-7-11(2)6-12(3)8-13/h9-13H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine?
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66330206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).