2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 80838977

IUPAC2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC)nc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-11(2)9-10-20(12-7-5-6-8-12)14-17-13(16-3)18-15(19-14)21-4/h11-12H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyXZSHVKUTGUREMK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.72
Rot. Bonds7

About 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine

2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80838977) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID80838977
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC)nc(N(CCC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-11(2)9-10-20(12-7-5-6-8-12)14-17-13(16-3)18-15(19-14)21-4/h11-12H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyXZSHVKUTGUREMK-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[cyclopropyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80810577
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
N-(2-bromoethyl)-N-cyclopentyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 80669323
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774290
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
2-N-(1-cyclohexylethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827053
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 80838977) is 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine is CNc1nc(OC)nc(N(CCC(C)C)C2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XZSHVKUTGUREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11(2)9-10-20(12-7-5-6-8-12)14-17-13(16-3)18-15(19-14)21-4/h11-12H,5-10H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).