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

C13H20ClN5O — CID 65108919

IUPAC1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCC1
InChIInChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(20)5-1-2-6-13)18-12(17-10)19-7-3-4-8-19/h20H,1-9H2,(H,15,16,17,18)
InChIKeyKFYSCJOXPYVXLK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.84
Rot. Bonds4

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

1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65108919) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65108919
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCC1
InChIInChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(20)5-1-2-6-13)18-12(17-10)19-7-3-4-8-19/h20H,1-9H2,(H,15,16,17,18)
InChIKeyKFYSCJOXPYVXLK-UHFFFAOYSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (CID 65108919) is 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is OC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCC1.
What is the InChIKey of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KFYSCJOXPYVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-10-16-11(15-9-13(20)5-1-2-6-13)18-12(17-10)19-7-3-4-8-19/h20H,1-9H2,(H,15,16,17,18).
What are the key properties of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).