[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol

C13H18ClN3O — CID 80950899

IUPAC[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2cc(Cl)nc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-7-11(16-12(15-10)9-3-4-9)17-13(8-18)5-1-2-6-13/h7,9,18H,1-6,8H2,(H,15,16,17)
InChIKeyGBKKSHREDWEIBG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds4

About [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol

[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 80950899) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID80950899
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2cc(Cl)nc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-7-11(16-12(15-10)9-3-4-9)17-13(8-18)5-1-2-6-13/h7,9,18H,1-6,8H2,(H,15,16,17)
InChIKeyGBKKSHREDWEIBG-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 80950899) is [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol is OCC1(Nc2cc(Cl)nc(C3CC3)n2)CCCC1.
What is the InChIKey of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is GBKKSHREDWEIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-7-11(16-12(15-10)9-3-4-9)17-13(8-18)5-1-2-6-13/h7,9,18H,1-6,8H2,(H,15,16,17).
What are the key properties of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 267.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 80950899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).