4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine

C11H19N5 — CID 80765698

IUPAC4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-13-9-7-10(16-11(12)15-9)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyFMZHTSCRFOGVTN-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.85
Rot. Bonds3

About 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine

4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80765698) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80765698
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-13-9-7-10(16-11(12)15-9)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyFMZHTSCRFOGVTN-UHFFFAOYSA-N
XLogP1.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine (CID 80765698) is 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(NC2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is FMZHTSCRFOGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-13-9-7-10(16-11(12)15-9)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine?
4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 221.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80765698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).