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

C13H23ClN6 — CID 80829285

IUPAC6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H23ClN6/c1-3-15-12-17-11(14)18-13(19-12)16-8-9-20(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFWORFSVWNSJSHF-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.24
Rot. Bonds7

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

6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80829285) has the molecular formula C13H23ClN6 and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80829285
Molecular FormulaC13H23ClN6
Molecular Weight298.82 g/mol
Exact Mass298.17
IUPAC Name6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H23ClN6/c1-3-15-12-17-11(14)18-13(19-12)16-8-9-20(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFWORFSVWNSJSHF-UHFFFAOYSA-N
XLogP2.24
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823002
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80829285) is 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCN(C)C2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FWORFSVWNSJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6/c1-3-15-12-17-11(14)18-13(19-12)16-8-9-20(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 298.82 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).