2-methyl-1H-pyrimidin-2-ol

C5H8N2O — CID 68996553

IUPAC2-methyl-1H-pyrimidin-2-ol
SMILESCC1(O)N=CC=CN1
InChIInChI=1S/C5H8N2O/c1-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3
InChIKeyLOWVLILLLFIBDQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.16
Rot. Bonds

About 2-methyl-1H-pyrimidin-2-ol

2-methyl-1H-pyrimidin-2-ol (PubChem CID 68996553) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-1H-pyrimidin-2-ol.

Molecular Properties

Compound Name2-methyl-1H-pyrimidin-2-ol
PubChem CID68996553
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methyl-1H-pyrimidin-2-ol
SMILESCC1(O)N=CC=CN1
InChIInChI=1S/C5H8N2O/c1-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3
InChIKeyLOWVLILLLFIBDQ-UHFFFAOYSA-N
XLogP-0.16
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrimidin-2-ol?
The IUPAC name of 2-methyl-1H-pyrimidin-2-ol (CID 68996553) is 2-methyl-1H-pyrimidin-2-ol.
What is the SMILES notation for 2-methyl-1H-pyrimidin-2-ol?
The canonical SMILES for 2-methyl-1H-pyrimidin-2-ol is CC1(O)N=CC=CN1.
What is the InChIKey of 2-methyl-1H-pyrimidin-2-ol?
The InChIKey is LOWVLILLLFIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)6-3-2-4-7-5/h2-4,6,8H,1H3.
What are the key properties of 2-methyl-1H-pyrimidin-2-ol?
2-methyl-1H-pyrimidin-2-ol has a molecular weight of 112.13 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrimidin-2-ol is sourced from PubChem (CID 68996553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).