1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

C21H23N3O2 — CID 118443746

IUPAC1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1
InChIInChI=1S/C21H23N3O2/c1-20(2,3)21(25,17-12-22-14-23-13-17)19-10-7-16(11-24-19)15-5-8-18(26-4)9-6-15/h5-14,25H,1-4H3
InChIKeyDIUBZUZJHVRRCN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.83
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 118443746) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID118443746
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1
InChIInChI=1S/C21H23N3O2/c1-20(2,3)21(25,17-12-22-14-23-13-17)19-10-7-16(11-24-19)15-5-8-18(26-4)9-6-15/h5-14,25H,1-4H3
InChIKeyDIUBZUZJHVRRCN-UHFFFAOYSA-N
XLogP3.83
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
CID 118443761
1-[5-(4-chlorophenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443721
1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443758
2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
CID 118443767
1-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443772
1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443397
1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol
CID 118443740
2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
CID 118443851
2-[5-(4-tert-butylphenyl)-2-pyridinyl]-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 118443820
1-[4-[4-(1,1-difluoroethoxy)phenyl]-2-(trifluoromethyl)phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 123564414
2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 70511217
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
CID 174680413

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (CID 118443746) is 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is COc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is DIUBZUZJHVRRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-20(2,3)21(25,17-12-22-14-23-13-17)19-10-7-16(11-24-19)15-5-8-18(26-4)9-6-15/h5-14,25H,1-4H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 349.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 118443746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).