6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine

C22H19N3O — CID 123866581

IUPAC6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCOc1cccc(-c2cc(Nc3cccc4ccccc34)nc(C)n2)c1
InChIInChI=1S/C22H19N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-14H,1-2H3,(H,23,24,25)
InChIKeySKEKTTMSAPFEHM-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.36
Rot. Bonds4

About 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine

6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 123866581) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID123866581
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCOc1cccc(-c2cc(Nc3cccc4ccccc34)nc(C)n2)c1
InChIInChI=1S/C22H19N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-14H,1-2H3,(H,23,24,25)
InChIKeySKEKTTMSAPFEHM-UHFFFAOYSA-N
XLogP5.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
7-(3,4-Dimethoxyphenyl)-6-Methylquinazoline-2,4-Diamine
CID 53346506
7-(2-Ethoxynaphthalen-1-Yl)-6-Methylquinazoline-2,4-Diamine
CID 53346511
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
5-[(2-Iodophenoxy)methyl]quinazoline-2,4-diamine
CID 6918861

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine (CID 123866581) is 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine is COc1cccc(-c2cc(Nc3cccc4ccccc34)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is SKEKTTMSAPFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine?
6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-methyl-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 123866581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).