N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine

C16H27N3O — CID 115975126

IUPACN-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-5-6-20-15-10-13(4)17-16(19-15)18-14-8-11(2)7-12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyMRTKXENYNCXFON-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds5

About N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine

N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 115975126) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID115975126
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C16H27N3O/c1-5-6-20-15-10-13(4)17-16(19-15)18-14-8-11(2)7-12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyMRTKXENYNCXFON-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112637391
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 114632140
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 115973155
N-[2-(aminomethyl)cyclohexyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973485
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine (CID 115975126) is N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is MRTKXENYNCXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-6-20-15-10-13(4)17-16(19-15)18-14-8-11(2)7-12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine?
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.81, 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)-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115975126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).