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

C9H13N3O — CID 62749207

IUPAC(2-pyrrolidin-1-ylpyrimidin-4-yl)methanol
SMILESOCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H13N3O/c13-7-8-3-4-10-9(11-8)12-5-1-2-6-12/h3-4,13H,1-2,5-7H2
InChIKeyZRZYNUKCMHUMLH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.57
Rot. Bonds2

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

(2-pyrrolidin-1-ylpyrimidin-4-yl)methanol (PubChem CID 62749207) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-pyrrolidin-1-ylpyrimidin-4-yl)methanol
PubChem CID62749207
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2-pyrrolidin-1-ylpyrimidin-4-yl)methanol
SMILESOCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H13N3O/c13-7-8-3-4-10-9(11-8)12-5-1-2-6-12/h3-4,13H,1-2,5-7H2
InChIKeyZRZYNUKCMHUMLH-UHFFFAOYSA-N
XLogP0.57
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The IUPAC name of (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol (CID 62749207) is (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol is OCc1ccnc(N2CCCC2)n1.
What is the InChIKey of (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
The InChIKey is ZRZYNUKCMHUMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-7-8-3-4-10-9(11-8)12-5-1-2-6-12/h3-4,13H,1-2,5-7H2.
What are the key properties of (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol?
(2-pyrrolidin-1-ylpyrimidin-4-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ylpyrimidin-4-yl)methanol is sourced from PubChem (CID 62749207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).