[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol

C17H24N4O2 — CID 70785520

IUPAC[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol
SMILESCC(C)c1nccc(-c2nccn2CC2(CO)CCOCC2)n1
InChIInChI=1S/C17H24N4O2/c1-13(2)15-18-6-3-14(20-15)16-19-7-8-21(16)11-17(12-22)4-9-23-10-5-17/h3,6-8,13,22H,4-5,9-12H2,1-2H3
InChIKeyHBZWESVVMHPWOG-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.25
Rot. Bonds5

About [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol

[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol (PubChem CID 70785520) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol
PubChem CID70785520
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol
SMILESCC(C)c1nccc(-c2nccn2CC2(CO)CCOCC2)n1
InChIInChI=1S/C17H24N4O2/c1-13(2)15-18-6-3-14(20-15)16-19-7-8-21(16)11-17(12-22)4-9-23-10-5-17/h3,6-8,13,22H,4-5,9-12H2,1-2H3
InChIKeyHBZWESVVMHPWOG-UHFFFAOYSA-N
XLogP2.25
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-{[methyl(4-methylpyrimidin-2-yl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 72902233
1-(2-Methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
CID 138008358
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 128979362
N-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129482288
N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129482289
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395709
(1-Methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 133395928
4-{[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]methyl}-1-methylpiperidin-4-ol
CID 56916759
8-methyl-3-(tetrahydro-2H-pyran-4-yl)imidazo[1,5-a]pyrazine
CID 67364106
N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine
CID 90453375
2-[2-Tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine
CID 141198916
1-Methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 153947055

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol (CID 70785520) is [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol is CC(C)c1nccc(-c2nccn2CC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The InChIKey is HBZWESVVMHPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)15-18-6-3-14(20-15)16-19-7-8-21(16)11-17(12-22)4-9-23-10-5-17/h3,6-8,13,22H,4-5,9-12H2,1-2H3.
What are the key properties of [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
[4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol has a molecular weight of 316.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 70785520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).