N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine

C24H21N3O — CID 66493776

IUPACN-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O/c1-18-7-11-21(12-8-18)26-24-25-16-15-23(27-24)20-9-13-22(14-10-20)28-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyLURAFSZFLQKBTI-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.77
Rot. Bonds6

About N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine

N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine (PubChem CID 66493776) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
PubChem CID66493776
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O/c1-18-7-11-21(12-8-18)26-24-25-16-15-23(27-24)20-9-13-22(14-10-20)28-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyLURAFSZFLQKBTI-UHFFFAOYSA-N
XLogP5.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
6-(4-phenylmethoxyphenyl)-N-pyridin-4-ylpyridin-2-amine
CID 166873727
N-(4-methylphenyl)-5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
CID 10378921
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine (CID 66493776) is N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine is Cc1ccc(Nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine?
The InChIKey is LURAFSZFLQKBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-7-11-21(12-8-18)26-24-25-16-15-23(27-24)20-9-13-22(14-10-20)28-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,25,26,27).
What are the key properties of N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine?
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine has a molecular weight of 367.45 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66493776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).