3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine

C17H16N4O — CID 75413994

IUPAC3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
SMILESCOc1ccnc(Nc2cccc(Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O/c1-22-16-10-11-18-17(21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,18,20,21)
InChIKeyCIUZCXKJWYZEFU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.97
Rot. Bonds5

About 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine

3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine (PubChem CID 75413994) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
PubChem CID75413994
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
SMILESCOc1ccnc(Nc2cccc(Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O/c1-22-16-10-11-18-17(21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,18,20,21)
InChIKeyCIUZCXKJWYZEFU-UHFFFAOYSA-N
XLogP3.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
CID 133285444
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
CID 133347689
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
N-(4-methoxypyrimidin-2-yl)-2,3-dimethylquinoxalin-6-amine
CID 170512498
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 143053924
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine
CID 153459080
4-methoxy-N-phenyl-6-propylpyrimidin-2-amine
CID 15615508
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine (CID 75413994) is 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine is COc1ccnc(Nc2cccc(Nc3ccccc3)c2)n1.
What is the InChIKey of 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine?
The InChIKey is CIUZCXKJWYZEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-16-10-11-18-17(21-16)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,18,20,21).
What are the key properties of 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine?
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine has a molecular weight of 292.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 75413994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).