4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one

C21H17N3O2 — CID 136778881

IUPAC4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-16-11-9-15(10-12-16)19-13-20(25)24-21(23-19)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H2,22,23,24,25)
InChIKeyFFDZJCIKKSQPRM-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.34
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one

4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136778881) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136778881
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-16-11-9-15(10-12-16)19-13-20(25)24-21(23-19)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H2,22,23,24,25)
InChIKeyFFDZJCIKKSQPRM-UHFFFAOYSA-N
XLogP4.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
2-(4-bromo-2-fluoroanilino)-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741066
4-(4-methoxyphenyl)-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136788409
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645112
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one (CID 136778881) is 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(Nc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FFDZJCIKKSQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-16-11-9-15(10-12-16)19-13-20(25)24-21(23-19)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H2,22,23,24,25).
What are the key properties of 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 343.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136778881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).