4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one

C22H17F2N3O — CID 135524738

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(Nc2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C22H17F2N3O/c1-13-20(12-16-17(23)9-5-10-18(16)24)26-22(27-21(13)28)25-19-11-4-7-14-6-2-3-8-15(14)19/h2-11H,12H2,1H3,(H2,25,26,27,28)
InChIKeyHOKUWFIOEUVASU-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.84
Rot. Bonds4

About 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 135524738) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
PubChem CID135524738
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(Nc2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C22H17F2N3O/c1-13-20(12-16-17(23)9-5-10-18(16)24)26-22(27-21(13)28)25-19-11-4-7-14-6-2-3-8-15(14)19/h2-11H,12H2,1H3,(H2,25,26,27,28)
InChIKeyHOKUWFIOEUVASU-UHFFFAOYSA-N
XLogP4.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 137235349
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135846108
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106
2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611977
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135446020
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135633218
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178
4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 17380821
3,6-bis[(2,6-difluorophenyl)methyl]-4-methyl-5-methylsulfanylpyridazine
CID 169224869

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one (CID 135524738) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(Nc2cccc3ccccc23)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is HOKUWFIOEUVASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c1-13-20(12-16-17(23)9-5-10-18(16)24)26-22(27-21(13)28)25-19-11-4-7-14-6-2-3-8-15(14)19/h2-11H,12H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 377.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135524738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).