2-methyl-1-pyrimidin-5-ylpropan-1-ol

C8H12N2O — CID 11744819

IUPAC2-methyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)C(O)c1cncnc1
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3
InChIKeyVPPNKTHBLIUONT-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.17
Rot. Bonds2

About 2-methyl-1-pyrimidin-5-ylpropan-1-ol

2-methyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 11744819) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID11744819
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)C(O)c1cncnc1
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3
InChIKeyVPPNKTHBLIUONT-UHFFFAOYSA-N
XLogP1.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-pyrimidin-5-ylpropan-1-ol (CID 11744819) is 2-methyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-pyrimidin-5-ylpropan-1-ol is CC(C)C(O)c1cncnc1.
What is the InChIKey of 2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is VPPNKTHBLIUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3.
What are the key properties of 2-methyl-1-pyrimidin-5-ylpropan-1-ol?
2-methyl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 152.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 11744819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).