4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C15H26N4O — CID 82455531

IUPAC4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1nc(NC2CCCCC2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)9-20-15-13(16)14(17-11(3)18-15)19-12-7-5-4-6-8-12/h10,12H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyYHYZLLISLWDLKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.15
Rot. Bonds5

About 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455531) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455531
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1nc(NC2CCCCC2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)9-20-15-13(16)14(17-11(3)18-15)19-12-7-5-4-6-8-12/h10,12H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyYHYZLLISLWDLKX-UHFFFAOYSA-N
XLogP3.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455531) is 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is Cc1nc(NC2CCCCC2)c(N)c(OCC(C)C)n1.
What is the InChIKey of 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is YHYZLLISLWDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)9-20-15-13(16)14(17-11(3)18-15)19-12-7-5-4-6-8-12/h10,12H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).