4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

C12H20N6 — CID 141350794

IUPAC4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCC2CN2CCCC2)n1
InChIInChI=1S/C12H20N6/c13-11-14-9-15-12(16-11)18-7-3-4-10(18)8-17-5-1-2-6-17/h9-10H,1-8H2,(H2,13,14,15,16)
InChIKeyKKJOEGWPMXWFIV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.52
Rot. Bonds3

About 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 141350794) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID141350794
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCC2CN2CCCC2)n1
InChIInChI=1S/C12H20N6/c13-11-14-9-15-12(16-11)18-7-3-4-10(18)8-17-5-1-2-6-17/h9-10H,1-8H2,(H2,13,14,15,16)
InChIKeyKKJOEGWPMXWFIV-UHFFFAOYSA-N
XLogP0.52
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3,3-Difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
CID 126516950
4-[2-(Trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 141350804
(3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
CID 173105990
2,4-Dipyrrolidin-1-yl-1,3,5-triazine
CID 53650619
N-piperidin-4-yl-N-pyrrolidin-3-yl-1,3,5-triazin-2-amine
CID 68381566
2-[2-(Pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine
CID 141350780
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156220349
N-butan-2-yl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156220373
N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156717760
4-[3-(Dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 175107981
2-(2-Methylpyrrolidin-1-yl)-1,3,5-triazine
CID 175454634
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 141350794) is 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is Nc1ncnc(N2CCCC2CN2CCCC2)n1.
What is the InChIKey of 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is KKJOEGWPMXWFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c13-11-14-9-15-12(16-11)18-7-3-4-10(18)8-17-5-1-2-6-17/h9-10H,1-8H2,(H2,13,14,15,16).
What are the key properties of 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 141350794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).