2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine

C16H28N4O — CID 82458482

IUPAC2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H28N4O/c1-11(2)9-10-18-15-13(17)16(21-3)20-14(19-15)12-7-5-4-6-8-12/h11-12H,4-10,17H2,1-3H3,(H,18,19,20)
InChIKeyMJJRFAWYROMMNG-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.57
Rot. Bonds6

About 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine

2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine (PubChem CID 82458482) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
PubChem CID82458482
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H28N4O/c1-11(2)9-10-18-15-13(17)16(21-3)20-14(19-15)12-7-5-4-6-8-12/h11-12H,4-10,17H2,1-3H3,(H,18,19,20)
InChIKeyMJJRFAWYROMMNG-UHFFFAOYSA-N
XLogP3.57
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine (CID 82458482) is 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine is COc1nc(C2CCCCC2)nc(NCCC(C)C)c1N.
What is the InChIKey of 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine?
The InChIKey is MJJRFAWYROMMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)9-10-18-15-13(17)16(21-3)20-14(19-15)12-7-5-4-6-8-12/h11-12H,4-10,17H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine?
2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).