1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol

C23H25N3O — CID 621541

IUPAC1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)CCCCC1
InChIInChI=1S/C23H25N3O/c27-23(14-8-3-9-15-23)17-20-16-21(18-10-4-1-5-11-18)26-22(25-20)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,16,27H,3,8-9,14-15,17H2,(H,24,25,26)
InChIKeyOEJUVQNAZCERAL-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.12
Rot. Bonds5

About 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol

1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol (PubChem CID 621541) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol
PubChem CID621541
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)CCCCC1
InChIInChI=1S/C23H25N3O/c27-23(14-8-3-9-15-23)17-20-16-21(18-10-4-1-5-11-18)26-22(25-20)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,16,27H,3,8-9,14-15,17H2,(H,24,25,26)
InChIKeyOEJUVQNAZCERAL-UHFFFAOYSA-N
XLogP5.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol (CID 621541) is 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol is OC1(Cc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)CCCCC1.
What is the InChIKey of 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is OEJUVQNAZCERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(14-8-3-9-15-23)17-20-16-21(18-10-4-1-5-11-18)26-22(25-20)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,16,27H,3,8-9,14-15,17H2,(H,24,25,26).
What are the key properties of 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol?
1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 359.47 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 621541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).