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

C7H10N2O — CID 15812275

IUPAC(1S)-1-pyrimidin-5-ylpropan-1-ol
SMILESCC[C@H](O)c1cncnc1
InChIInChI=1S/C7H10N2O/c1-2-7(10)6-3-8-5-9-4-6/h3-5,7,10H,2H2,1H3/t7-/m0/s1
InChIKeyRMFNEVRMNHXBPP-ZETCQYMHSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds2

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

(1S)-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 15812275) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S)-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-pyrimidin-5-ylpropan-1-ol
PubChem CID15812275
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(1S)-1-pyrimidin-5-ylpropan-1-ol
SMILESCC[C@H](O)c1cncnc1
InChIInChI=1S/C7H10N2O/c1-2-7(10)6-3-8-5-9-4-6/h3-5,7,10H,2H2,1H3/t7-/m0/s1
InChIKeyRMFNEVRMNHXBPP-ZETCQYMHSA-N
XLogP0.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrimidin-5-ylhexan-1-ol
CID 15889672
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
1-pyrimidin-5-ylheptan-1-ol
CID 63901616
6-methyl-1-pyrimidin-5-ylheptan-1-ol
CID 174530824
(1S)-1-pyrimidin-5-ylethanol
CID 86316466
4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
4-pyrimidin-5-ylpentan-2-ol
CID 64720570
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
3-(2-methoxyethoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 102927713

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of (1S)-1-pyrimidin-5-ylpropan-1-ol (CID 15812275) is (1S)-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for (1S)-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for (1S)-1-pyrimidin-5-ylpropan-1-ol is CC[C@H](O)c1cncnc1.
What is the InChIKey of (1S)-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is RMFNEVRMNHXBPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-7(10)6-3-8-5-9-4-6/h3-5,7,10H,2H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-pyrimidin-5-ylpropan-1-ol?
(1S)-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 15812275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).