1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride

C19H18Cl2F2N4O2 — CID 22050766

IUPAC1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
SMILESCc1ncc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(N)n1.Cl
InChIInChI=1S/C19H17ClF2N4O2.ClH/c1-10-5-16(28-9-12-3-4-14(21)6-15(12)22)17(20)19(27)26(10)8-13-7-24-11(2)25-18(13)23;/h3-7H,8-9H2,1-2H3,(H2,23,24,25);1H
InChIKeyWWTPABNGIZJHMC-UHFFFAOYSA-N
MW443.28 g/mol
LogP3.82
Rot. Bonds5

About 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride

1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride (PubChem CID 22050766) has the molecular formula C19H18Cl2F2N4O2 and a molecular weight of 443.28 g/mol. Its IUPAC name is 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
PubChem CID22050766
Molecular FormulaC19H18Cl2F2N4O2
Molecular Weight443.28 g/mol
Exact Mass442.08
IUPAC Name1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
SMILESCc1ncc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(N)n1.Cl
InChIInChI=1S/C19H17ClF2N4O2.ClH/c1-10-5-16(28-9-12-3-4-14(21)6-15(12)22)17(20)19(27)26(10)8-13-7-24-11(2)25-18(13)23;/h3-7H,8-9H2,1-2H3,(H2,23,24,25);1H
InChIKeyWWTPABNGIZJHMC-UHFFFAOYSA-N
XLogP3.82
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089201
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-(1H-indol-5-ylmethyl)-6-methylpyridin-2-one
CID 22050800
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 142275038
3-bromo-1-[[5-(chloromethyl)pyrazin-2-yl]methyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22051169
3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
CID 21035310
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 10194628
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 22050412
[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
CID 69069827

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The IUPAC name of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride (CID 22050766) is 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride is Cc1ncc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(N)n1.Cl.
What is the InChIKey of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The InChIKey is WWTPABNGIZJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2.ClH/c1-10-5-16(28-9-12-3-4-14(21)6-15(12)22)17(20)19(27)26(10)8-13-7-24-11(2)25-18(13)23;/h3-7H,8-9H2,1-2H3,(H2,23,24,25);1H.
What are the key properties of 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride has a molecular weight of 443.28 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 22050766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).