2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol

C11H16N2O — CID 123590530

IUPAC2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol
SMILESC=C(C)C(O)(c1cncnc1)C(C)C
InChIInChI=1S/C11H16N2O/c1-8(2)11(14,9(3)4)10-5-12-7-13-6-10/h5-7,9,14H,1H2,2-4H3
InChIKeyUXYHPOPEAFIEQO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.90
Rot. Bonds3

About 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol

2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol (PubChem CID 123590530) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol
PubChem CID123590530
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol
SMILESC=C(C)C(O)(c1cncnc1)C(C)C
InChIInChI=1S/C11H16N2O/c1-8(2)11(14,9(3)4)10-5-12-7-13-6-10/h5-7,9,14H,1H2,2-4H3
InChIKeyUXYHPOPEAFIEQO-UHFFFAOYSA-N
XLogP1.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclopentyl-cyclopropyl-pyrimidin-5-yl-methanol
CID 13813670
3-(5-Pyrimidinyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15750245
(S)-2-methyl-1(2-methyl-pyrimidin-5-yl)-propan-1-ol
CID 10975848
(S)-2-Methyl-1-(pyrimidin-5-yl)propan-1-ol
CID 11240594
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
5-(3-Methylbutan-2-yl)pyrimidine-2,4-diamine
CID 163646531
2-[(3S)-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 129609535
2-Methyl-4-[methyl(5-propylpyrimidin-2-YL)amino]butan-2-OL
CID 129624236
3-[(5-Isopropylpyrimidin-2-yl)(methyl)amino]-2,2-dimethylpropan-1-ol
CID 131952088

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol?
The IUPAC name of 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol (CID 123590530) is 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol?
The canonical SMILES for 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol is C=C(C)C(O)(c1cncnc1)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol?
The InChIKey is UXYHPOPEAFIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)11(14,9(3)4)10-5-12-7-13-6-10/h5-7,9,14H,1H2,2-4H3.
What are the key properties of 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol?
2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol has a molecular weight of 192.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-pyrimidin-5-ylpent-1-en-3-ol is sourced from PubChem (CID 123590530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).