2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine

C29H24N4O — CID 3677248

IUPAC2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(Nc4ccc(Oc5ccccc5)cc4)nc(C)n3)c2)cc1
InChIInChI=1S/C29H24N4O/c1-20-8-10-22(11-9-20)23-16-24(19-30-18-23)28-17-29(32-21(2)31-28)33-25-12-14-27(15-13-25)34-26-6-4-3-5-7-26/h3-19H,1-2H3,(H,31,32,33)
InChIKeyNUDVJJTUZPVXNM-UHFFFAOYSA-N
MW444.54 g/mol
LogP7.36
Rot. Bonds6

About 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine

2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 3677248) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
PubChem CID3677248
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(Nc4ccc(Oc5ccccc5)cc4)nc(C)n3)c2)cc1
InChIInChI=1S/C29H24N4O/c1-20-8-10-22(11-9-20)23-16-24(19-30-18-23)28-17-29(32-21(2)31-28)33-25-12-14-27(15-13-25)34-26-6-4-3-5-7-26/h3-19H,1-2H3,(H,31,32,33)
InChIKeyNUDVJJTUZPVXNM-UHFFFAOYSA-N
XLogP7.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677252
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3497943
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 20997773
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
3-[[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]amino]propanenitrile
CID 3701721
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine (CID 3677248) is 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine is Cc1ccc(-c2cncc(-c3cc(Nc4ccc(Oc5ccccc5)cc4)nc(C)n3)c2)cc1.
What is the InChIKey of 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is NUDVJJTUZPVXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O/c1-20-8-10-22(11-9-20)23-16-24(19-30-18-23)28-17-29(32-21(2)31-28)33-25-12-14-27(15-13-25)34-26-6-4-3-5-7-26/h3-19H,1-2H3,(H,31,32,33).
What are the key properties of 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine?
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine has a molecular weight of 444.54 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3677248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).