4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol

C9H13N3O — CID 130949550

IUPAC4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1CN(c2ccncn2)CC1O
InChIInChI=1S/C9H13N3O/c1-7-4-12(5-8(7)13)9-2-3-10-6-11-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeySGLWTUBNUOPDGH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.29
Rot. Bonds1

About 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol

4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol (PubChem CID 130949550) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
PubChem CID130949550
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC1CN(c2ccncn2)CC1O
InChIInChI=1S/C9H13N3O/c1-7-4-12(5-8(7)13)9-2-3-10-6-11-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeySGLWTUBNUOPDGH-UHFFFAOYSA-N
XLogP0.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The IUPAC name of 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol (CID 130949550) is 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol is CC1CN(c2ccncn2)CC1O.
What is the InChIKey of 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The InChIKey is SGLWTUBNUOPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-12(5-8(7)13)9-2-3-10-6-11-9/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 130949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).