1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol

C8H16N2O — CID 70357606

IUPAC1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol
SMILESCC(O)CC1=NCCCN1C
InChIInChI=1S/C8H16N2O/c1-7(11)6-8-9-4-3-5-10(8)2/h7,11H,3-6H2,1-2H3
InChIKeyVKDQIYTWPXKOBS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.49
Rot. Bonds2

About 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol

1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol (PubChem CID 70357606) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol
PubChem CID70357606
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol
SMILESCC(O)CC1=NCCCN1C
InChIInChI=1S/C8H16N2O/c1-7(11)6-8-9-4-3-5-10(8)2/h7,11H,3-6H2,1-2H3
InChIKeyVKDQIYTWPXKOBS-UHFFFAOYSA-N
XLogP0.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol
CID 60085650
1-[1-(2-Hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol
CID 67876683
2-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)ethanol
CID 68421109
1-(2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidin-5-ium-5-yl)propan-2-ol
CID 69233860
2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanol
CID 141155603
N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
CID 163764373
1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propan-1-ol
CID 70357711
2-(1-Butyl-4,5-dihydroimidazol-2-yl)ethanol
CID 157593951
3-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)propan-1-ol
CID 177519079

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol (CID 70357606) is 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol is CC(O)CC1=NCCCN1C.
What is the InChIKey of 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol?
The InChIKey is VKDQIYTWPXKOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11)6-8-9-4-3-5-10(8)2/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol?
1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol has a molecular weight of 156.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol is sourced from PubChem (CID 70357606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).