2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol

C17H22N2O2 — CID 70511217

IUPAC2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
SMILESCOc1ccc(C(O)(Cc2cncnc2)C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-16(2,3)17(20,9-13-10-18-12-19-11-13)14-5-7-15(21-4)8-6-14/h5-8,10-12,20H,9H2,1-4H3
InChIKeyYVWZJWDOXVWDNS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol

2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol (PubChem CID 70511217) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
PubChem CID70511217
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
SMILESCOc1ccc(C(O)(Cc2cncnc2)C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-16(2,3)17(20,9-13-10-18-12-19-11-13)14-5-7-15(21-4)8-6-14/h5-8,10-12,20H,9H2,1-4H3
InChIKeyYVWZJWDOXVWDNS-UHFFFAOYSA-N
XLogP2.96
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-tert-butylphenyl)-2-pyridinyl]-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 118443820
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443746
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
CID 125493756
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
CID 102373172
CID 102373172
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
CID 135291592
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol (CID 70511217) is 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol is COc1ccc(C(O)(Cc2cncnc2)C(C)(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol?
The InChIKey is YVWZJWDOXVWDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(2,3)17(20,9-13-10-18-12-19-11-13)14-5-7-15(21-4)8-6-14/h5-8,10-12,20H,9H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol?
2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol is sourced from PubChem (CID 70511217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).