[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

C11H16ClN3O2 — CID 139019006

IUPAC[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(CO)CC2CO)n1
InChIInChI=1S/C11H16ClN3O2/c1-7-13-10(12)3-11(14-7)15-4-8(5-16)2-9(15)6-17/h3,8-9,16-17H,2,4-6H2,1H3
InChIKeyUBTOHVPCLSPEPF-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.62
Rot. Bonds3

About [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 139019006) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID139019006
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(CO)CC2CO)n1
InChIInChI=1S/C11H16ClN3O2/c1-7-13-10(12)3-11(14-7)15-4-8(5-16)2-9(15)6-17/h3,8-9,16-17H,2,4-6H2,1H3
InChIKeyUBTOHVPCLSPEPF-UHFFFAOYSA-N
XLogP0.62
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 139019006) is [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is Cc1nc(Cl)cc(N2CC(CO)CC2CO)n1.
What is the InChIKey of [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is UBTOHVPCLSPEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-13-10(12)3-11(14-7)15-4-8(5-16)2-9(15)6-17/h3,8-9,16-17H,2,4-6H2,1H3.
What are the key properties of [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 139019006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).