6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C17H18N4O3S — CID 90383004

IUPAC6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCONc1cccc(-n2c(=O)c(OC)c(C)c3cnc(SC)nc32)c1
InChIInChI=1S/C17H18N4O3S/c1-10-13-9-18-17(25-4)19-15(13)21(16(22)14(10)23-2)12-7-5-6-11(8-12)20-24-3/h5-9,20H,1-4H3
InChIKeyWRVLIFSMZULWRD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.79
Rot. Bonds5

About 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 90383004) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID90383004
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCONc1cccc(-n2c(=O)c(OC)c(C)c3cnc(SC)nc32)c1
InChIInChI=1S/C17H18N4O3S/c1-10-13-9-18-17(25-4)19-15(13)21(16(22)14(10)23-2)12-7-5-6-11(8-12)20-24-3/h5-9,20H,1-4H3
InChIKeyWRVLIFSMZULWRD-UHFFFAOYSA-N
XLogP2.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid
CID 90373919
6-methyl-2-methylsulfanyl-8-phenyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171547187
6-(3-fluorophenyl)-2-methylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 164935798
11-(4-methoxyanilino)-8-(3-methylphenyl)-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90451265
tert-butyl N-[3-[6-(4-fluorophenoxy)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;tert-butyl N-[3-[6-(4-fluorophenoxy)-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;dichloromethane
CID 165065582
8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620192
5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 177309589
2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 68677861
tert-butyl N-[3-(5-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate
CID 86732012
2-methylsulfanyl-8-phenyl-5-(2-triethylsilylethynyl)pyrido[2,3-d]pyrimidin-7-one
CID 171547425
tert-butyl N-[3-(2-chloro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate
CID 90382991
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 151178724

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 90383004) is 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CONc1cccc(-n2c(=O)c(OC)c(C)c3cnc(SC)nc32)c1.
What is the InChIKey of 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WRVLIFSMZULWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-13-9-18-17(25-4)19-15(13)21(16(22)14(10)23-2)12-7-5-6-11(8-12)20-24-3/h5-9,20H,1-4H3.
What are the key properties of 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 358.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90383004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).