4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine

C13H23N5O — CID 19135849

IUPAC4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C13H23N5O/c1-19-8-7-15-12-11(14)13(17-9-16-12)18-10-5-3-2-4-6-10/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyFTPWVXUHVNOMHX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds6

About 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine

4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine (PubChem CID 19135849) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
PubChem CID19135849
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C13H23N5O/c1-19-8-7-15-12-11(14)13(17-9-16-12)18-10-5-3-2-4-6-10/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyFTPWVXUHVNOMHX-UHFFFAOYSA-N
XLogP1.86
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine (CID 19135849) is 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine is COCCNc1ncnc(NC2CCCCC2)c1N.
What is the InChIKey of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The InChIKey is FTPWVXUHVNOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-19-8-7-15-12-11(14)13(17-9-16-12)18-10-5-3-2-4-6-10/h9-10H,2-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine?
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine has a molecular weight of 265.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).