[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol

C11H16ClN3O — CID 121202573

IUPAC[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(C)C(CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-4-15(5-9(7)6-16)11-3-10(12)13-8(2)14-11/h3,7,9,16H,4-6H2,1-2H3
InChIKeySOGYQXGPCWKGEI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.50
Rot. Bonds2

About [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol

[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol (PubChem CID 121202573) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
PubChem CID121202573
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(C)C(CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-4-15(5-9(7)6-16)11-3-10(12)13-8(2)14-11/h3,7,9,16H,4-6H2,1-2H3
InChIKeySOGYQXGPCWKGEI-UHFFFAOYSA-N
XLogP1.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol (CID 121202573) is [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol is Cc1nc(Cl)cc(N2CC(C)C(CO)C2)n1.
What is the InChIKey of [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is SOGYQXGPCWKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-15(5-9(7)6-16)11-3-10(12)13-8(2)14-11/h3,7,9,16H,4-6H2,1-2H3.
What are the key properties of [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol?
[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 121202573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).