6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine

C15H26N4 — CID 80777757

IUPAC6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCCCC2C)c1CC
InChIInChI=1S/C15H26N4/c1-4-12-14(16-5-2)17-10-18-15(12)19-13-9-7-6-8-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyULVSWRIWPMXGJR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds5

About 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80777757) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80777757
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCCCC2C)c1CC
InChIInChI=1S/C15H26N4/c1-4-12-14(16-5-2)17-10-18-15(12)19-13-9-7-6-8-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyULVSWRIWPMXGJR-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80777757) is 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine is CCNc1ncnc(NC2CCCCC2C)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is ULVSWRIWPMXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-12-14(16-5-2)17-10-18-15(12)19-13-9-7-6-8-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80777757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).