2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

C13H20ClN5O — CID 114757195

IUPAC2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(3-4-13)5-8-20)18-12(17-10)19-6-1-2-7-19/h20H,1-9H2,(H,15,16,17,18)
InChIKeyNUJYCTXGDKLQBK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114757195) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114757195
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(3-4-13)5-8-20)18-12(17-10)19-6-1-2-7-19/h20H,1-9H2,(H,15,16,17,18)
InChIKeyNUJYCTXGDKLQBK-UHFFFAOYSA-N
XLogP1.70
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (CID 114757195) is 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is OCCC1(CNc2nc(Cl)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is NUJYCTXGDKLQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(3-4-13)5-8-20)18-12(17-10)19-6-1-2-7-19/h20H,1-9H2,(H,15,16,17,18).
What are the key properties of 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 297.79 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).