[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol

C11H12ClN3O — CID 58513697

IUPAC[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol
SMILESCc1cn(-c2nc(Cl)ncc2C)cc1CO
InChIInChI=1S/C11H12ClN3O/c1-7-3-13-11(12)14-10(7)15-4-8(2)9(5-15)6-16/h3-5,16H,6H2,1-2H3
InChIKeyDSMGQAQFVOUASH-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.03
Rot. Bonds2

About [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol

[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol (PubChem CID 58513697) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol
PubChem CID58513697
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol
SMILESCc1cn(-c2nc(Cl)ncc2C)cc1CO
InChIInChI=1S/C11H12ClN3O/c1-7-3-13-11(12)14-10(7)15-4-8(2)9(5-15)6-16/h3-5,16H,6H2,1-2H3
InChIKeyDSMGQAQFVOUASH-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol?
The IUPAC name of [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol (CID 58513697) is [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol is Cc1cn(-c2nc(Cl)ncc2C)cc1CO.
What is the InChIKey of [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol?
The InChIKey is DSMGQAQFVOUASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-3-13-11(12)14-10(7)15-4-8(2)9(5-15)6-16/h3-5,16H,6H2,1-2H3.
What are the key properties of [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol?
[1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol has a molecular weight of 237.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylpyrrol-3-yl]methanol is sourced from PubChem (CID 58513697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).