[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C18H27N5O — CID 133395761

IUPAC[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H27N5O/c1-18(2,3)17-20-8-5-14(21-17)23-10-6-13(7-11-23)15(24)16-19-9-12-22(16)4/h5,8-9,12-13,15,24H,6-7,10-11H2,1-4H3
InChIKeyMBTWOQNQCHWQIX-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.46
Rot. Bonds3

About [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395761) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395761
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H27N5O/c1-18(2,3)17-20-8-5-14(21-17)23-10-6-13(7-11-23)15(24)16-19-9-12-22(16)4/h5,8-9,12-13,15,24H,6-7,10-11H2,1-4H3
InChIKeyMBTWOQNQCHWQIX-UHFFFAOYSA-N
XLogP2.46
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395761) is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(c2ccnc(C(C)(C)C)n2)CC1.
What is the InChIKey of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is MBTWOQNQCHWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-18(2,3)17-20-8-5-14(21-17)23-10-6-13(7-11-23)15(24)16-19-9-12-22(16)4/h5,8-9,12-13,15,24H,6-7,10-11H2,1-4H3.
What are the key properties of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 329.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).