2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

C22H18N4 — CID 3590842

IUPAC2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(-c2cncc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H18N4/c1-16-24-21(13-22(25-16)26-20-10-6-3-7-11-20)19-12-18(14-23-15-19)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25,26)
InChIKeyNEFPSOFUPJMIMV-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.26
Rot. Bonds4

About 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 3590842) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID3590842
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(-c2cncc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H18N4/c1-16-24-21(13-22(25-16)26-20-10-6-3-7-11-20)19-12-18(14-23-15-19)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25,26)
InChIKeyNEFPSOFUPJMIMV-UHFFFAOYSA-N
XLogP5.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
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-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677252
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] propanoate
CID 9149585
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (CID 3590842) is 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is Cc1nc(Nc2ccccc2)cc(-c2cncc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is NEFPSOFUPJMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-16-24-21(13-22(25-16)26-20-10-6-3-7-11-20)19-12-18(14-23-15-19)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 3590842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).