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

C19H17F2N3O — CID 135846106

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H17F2N3O/c1-12-17(11-14-15(20)9-6-10-16(14)21)22-19(23-18(12)25)24(2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,22,23,25)
InChIKeyHDVRTCXSRDLUCU-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.72
Rot. Bonds4

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

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135846106) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
PubChem CID135846106
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H17F2N3O/c1-12-17(11-14-15(20)9-6-10-16(14)21)22-19(23-18(12)25)24(2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,22,23,25)
InChIKeyHDVRTCXSRDLUCU-UHFFFAOYSA-N
XLogP3.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 135524738
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135846108
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-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135446020
4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 11254902
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135592196
4-[2-(2,6-difluorophenyl)propan-2-yl]-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135421241
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
3-(N-methylanilino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561097
2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135846116
4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 135846075
2-[(1R)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808901

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one (CID 135846106) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(N(C)c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is HDVRTCXSRDLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-12-17(11-14-15(20)9-6-10-16(14)21)22-19(23-18(12)25)24(2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 341.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 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-(N-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135846106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).