4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol

C26H25N3O — CID 139208757

IUPAC4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol
SMILESCC(C)c1ccccc1-c1ncc(O)c(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H25N3O/c1-18(2)22-10-6-7-11-23(22)25-28-17-24(30)26(29-25)27-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18,30H,16H2,1-2H3,(H,27,28,29)
InChIKeyNEFBWAXVDZOLKA-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.25
Rot. Bonds6

About 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol

4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol (PubChem CID 139208757) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol
PubChem CID139208757
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol
SMILESCC(C)c1ccccc1-c1ncc(O)c(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H25N3O/c1-18(2)22-10-6-7-11-23(22)25-28-17-24(30)26(29-25)27-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18,30H,16H2,1-2H3,(H,27,28,29)
InChIKeyNEFBWAXVDZOLKA-UHFFFAOYSA-N
XLogP6.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylpyrimidin-5-ol
CID 598996
2-(2-Isopropylphenyl)-5-methyl-N-(3-methylbenzyl)pyrimidin-4-amine
CID 60167827
N-benzyl-5-(2-methylphenyl)pyrimidin-4-amine
CID 3232698
2-(2-Isopropylphenyl)-5-methoxy-N-(4-(pyridin-3-yl)benzyl)pyrimidin-4-amine
CID 60167847
5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 139208022
4-[[[5-Methyl-2-(2-propan-2-ylphenyl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 60167884
5-methyl-N-[(4-piperidin-3-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167802
5-methylsulfanyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 139208029
5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 139208756
5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 139208758
2-[Ethyl(1-phenylpropyl)amino]pyrimidin-5-ol
CID 44395774
(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 127027919

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol?
The IUPAC name of 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol (CID 139208757) is 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol.
What is the SMILES notation for 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol?
The canonical SMILES for 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol is CC(C)c1ccccc1-c1ncc(O)c(NCc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol?
The InChIKey is NEFBWAXVDZOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-18(2)22-10-6-7-11-23(22)25-28-17-24(30)26(29-25)27-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18,30H,16H2,1-2H3,(H,27,28,29).
What are the key properties of 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol?
4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol has a molecular weight of 395.51 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol is sourced from PubChem (CID 139208757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).