1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol

C22H27N5O2 — CID 166621946

IUPAC1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1ccc(-c2nccn2C(C)C)cc1-c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C22H27N5O2/c1-15(2)27-11-8-23-22(27)16-4-5-20(29-3)18(12-16)19-13-21(25-14-24-19)26-9-6-17(28)7-10-26/h4-5,8,11-15,17,28H,6-7,9-10H2,1-3H3
InChIKeyDXQRYBHLDUZSDK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.56
Rot. Bonds5

About 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol

1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 166621946) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID166621946
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1ccc(-c2nccn2C(C)C)cc1-c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C22H27N5O2/c1-15(2)27-11-8-23-22(27)16-4-5-20(29-3)18(12-16)19-13-21(25-14-24-19)26-9-6-17(28)7-10-26/h4-5,8,11-15,17,28H,6-7,9-10H2,1-3H3
InChIKeyDXQRYBHLDUZSDK-UHFFFAOYSA-N
XLogP3.56
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 53010126
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 70653946
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 74251022
6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
CID 165428045
1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 131911689
4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 134149174
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131
N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 139557461
4-(3,4-dimethoxyphenyl)-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidine
CID 53071567

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol (CID 166621946) is 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol is COc1ccc(-c2nccn2C(C)C)cc1-c1cc(N2CCC(O)CC2)ncn1.
What is the InChIKey of 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is DXQRYBHLDUZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(2)27-11-8-23-22(27)16-4-5-20(29-3)18(12-16)19-13-21(25-14-24-19)26-9-6-17(28)7-10-26/h4-5,8,11-15,17,28H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 393.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 166621946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).