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

C12H21ClN6 — CID 82949836

IUPAC2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-9(8-18(2)3)14-11-15-10(13)16-12(17-11)19-6-4-5-7-19/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyXWELERUFMGHUBI-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.49
Rot. Bonds5

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

2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82949836) has the molecular formula C12H21ClN6 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82949836
Molecular FormulaC12H21ClN6
Molecular Weight284.79 g/mol
Exact Mass284.15
IUPAC Name2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-9(8-18(2)3)14-11-15-10(13)16-12(17-11)19-6-4-5-7-19/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyXWELERUFMGHUBI-UHFFFAOYSA-N
XLogP1.49
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 62865148
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
4-chloro-N-pent-4-yn-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 114156802
2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950213
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 64644222
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
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4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63292587
4-chloro-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106028150
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82949836) is 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is XWELERUFMGHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6/c1-9(8-18(2)3)14-11-15-10(13)16-12(17-11)19-6-4-5-7-19/h9H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 284.79 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82949836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).