N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine

C13H23ClN6 — CID 62870216

IUPACN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H23ClN6/c1-3-19(4-2)10-7-15-12-16-11(14)17-13(18-12)20-8-5-6-9-20/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyWDXLNLPJDUNXJM-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.88
Rot. Bonds7

About N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine

N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 62870216) has the molecular formula C13H23ClN6 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID62870216
Molecular FormulaC13H23ClN6
Molecular Weight298.82 g/mol
Exact Mass298.17
IUPAC NameN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H23ClN6/c1-3-19(4-2)10-7-15-12-16-11(14)17-13(18-12)20-8-5-6-9-20/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyWDXLNLPJDUNXJM-UHFFFAOYSA-N
XLogP1.88
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
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
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106196907
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine (CID 62870216) is N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is WDXLNLPJDUNXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6/c1-3-19(4-2)10-7-15-12-16-11(14)17-13(18-12)20-8-5-6-9-20/h3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine?
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 298.82 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 62870216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).