1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol

C8H14N2O2 — CID 69174303

IUPAC1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol
SMILESCC1=CC(C)=NC(O)N1CCO
InChIInChI=1S/C8H14N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h5,8,11-12H,3-4H2,1-2H3
InChIKeyHYQYMEOUHVLQCR-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.07
Rot. Bonds2

About 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol

1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol (PubChem CID 69174303) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol
PubChem CID69174303
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol
SMILESCC1=CC(C)=NC(O)N1CCO
InChIInChI=1S/C8H14N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h5,8,11-12H,3-4H2,1-2H3
InChIKeyHYQYMEOUHVLQCR-UHFFFAOYSA-N
XLogP-0.07
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol?
The IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol (CID 69174303) is 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol?
The canonical SMILES for 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol is CC1=CC(C)=NC(O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol?
The InChIKey is HYQYMEOUHVLQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-5-7(2)10(3-4-11)8(12)9-6/h5,8,11-12H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol?
1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol has a molecular weight of 170.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,6-dimethyl-2H-pyrimidin-2-ol is sourced from PubChem (CID 69174303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).