(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol

C9H12ClN3O — CID 58336174

IUPAC(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
SMILESOCc1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c10-9-11-7(6-14)5-8(12-9)13-3-1-2-4-13/h5,14H,1-4,6H2
InChIKeyZBSGMYXRPKBZQR-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.22
Rot. Bonds2

About (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol

(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol (PubChem CID 58336174) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
PubChem CID58336174
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
SMILESOCc1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c10-9-11-7(6-14)5-8(12-9)13-3-1-2-4-13/h5,14H,1-4,6H2
InChIKeyZBSGMYXRPKBZQR-UHFFFAOYSA-N
XLogP1.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The IUPAC name of (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol (CID 58336174) is (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol is OCc1cc(N2CCCC2)nc(Cl)n1.
What is the InChIKey of (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The InChIKey is ZBSGMYXRPKBZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-11-7(6-14)5-8(12-9)13-3-1-2-4-13/h5,14H,1-4,6H2.
What are the key properties of (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol has a molecular weight of 213.67 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol is sourced from PubChem (CID 58336174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).