2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80814591

IUPAC2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-20(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyYHSPFPZMFBQWHD-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.60
Rot. Bonds8

About 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80814591) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80814591
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-20(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyYHSPFPZMFBQWHD-UHFFFAOYSA-N
XLogP1.60
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823002
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80814591) is 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCCN(C)C2CCCC2)n1.
What is the InChIKey of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YHSPFPZMFBQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-20(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).