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

C16H25N3O — CID 80962626

IUPAC2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)C(C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H25N3O/c1-10-4-7-13(8-11(10)2)20-15-9-14(17-3)18-16(19-15)12-5-6-12/h9-13H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyDEMBKKXKLZLVIO-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.60
Rot. Bonds4

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

2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine (PubChem CID 80962626) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
PubChem CID80962626
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)C(C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H25N3O/c1-10-4-7-13(8-11(10)2)20-15-9-14(17-3)18-16(19-15)12-5-6-12/h9-13H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyDEMBKKXKLZLVIO-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962707
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720007
[2-cyclopropyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80969664
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
(6-cyclohexyloxy-2-cyclopropylpyrimidin-4-yl)hydrazine
CID 80968842
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776446
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80876574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine (CID 80962626) is 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine is CNc1cc(OC2CCC(C)C(C)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
The InChIKey is DEMBKKXKLZLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-4-7-13(8-11(10)2)20-15-9-14(17-3)18-16(19-15)12-5-6-12/h9-13H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80962626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).