(1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol

C8H12N2O — CID 11240594

IUPAC(1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)[C@H](O)c1cncnc1
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3/t8-/m0/s1
InChIKeyVPPNKTHBLIUONT-QMMMGPOBSA-N
MW152.20 g/mol
LogP1.17
Rot. Bonds2

About (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol

(1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 11240594) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID11240594
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)[C@H](O)c1cncnc1
InChIInChI=1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3/t8-/m0/s1
InChIKeyVPPNKTHBLIUONT-QMMMGPOBSA-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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Related Compounds

3-(2-Aminopyrimidin-5-yl)propan-1-ol
CID 66523862
1-(2,4-Dichloropyrimidin-5-yl)ethan-1-ol
CID 15141648
(2-(Propan-2-yloxy)pyrimidin-5-yl)methanol
CID 130550961
1-(5-(Hydroxymethyl)pyrimidin-2-yl)piperidin-4-ol
CID 53415334
1-(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
CID 10419979
(S)-2-methyl-1(2-methyl-pyrimidin-5-yl)-propan-1-ol
CID 10975848
2-Methyl-1-(pyrimidin-5-yl)propan-1-ol
CID 11744819
alpha-tert-Butylpyrimidine-5-methanol
CID 13072124
2-(Pyrimidin-5-yl)propan-2-ol
CID 14434909
1-(2-(3,3-Dimethylbut-1-yn-1-yl)pyrimidin-5-yl)-2-methylpropan-1-ol
CID 24947465
1-(2-Methylpyrimidin-5-yl)ethanol
CID 54772447
2-Methyl-4-[methyl(5-propylpyrimidin-2-YL)amino]butan-2-OL
CID 129624236

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol (CID 11240594) is (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol is CC(C)[C@H](O)c1cncnc1.
What is the InChIKey of (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is VPPNKTHBLIUONT-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol?
(1S)-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 (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 11240594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).