(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol

C18H27N5O — CID 50968921

IUPAC(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1nc(C(C)C)cc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C18H27N5O/c1-12(2)15-11-16(21-13(3)20-15)23-8-5-14(6-9-23)17(24)18-19-7-10-22(18)4/h7,10-12,14,17,24H,5-6,8-9H2,1-4H3
InChIKeyBVVVCGUTGQESEM-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.59
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 50968921) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID50968921
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1nc(C(C)C)cc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C18H27N5O/c1-12(2)15-11-16(21-13(3)20-15)23-8-5-14(6-9-23)17(24)18-19-7-10-22(18)4/h7,10-12,14,17,24H,5-6,8-9H2,1-4H3
InChIKeyBVVVCGUTGQESEM-UHFFFAOYSA-N
XLogP2.59
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol (CID 50968921) is (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol is Cc1nc(C(C)C)cc(N2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is BVVVCGUTGQESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12(2)15-11-16(21-13(3)20-15)23-8-5-14(6-9-23)17(24)18-19-7-10-22(18)4/h7,10-12,14,17,24H,5-6,8-9H2,1-4H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 329.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 50968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).