methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate

C19H20F2N4O5 — CID 86301952

IUPACmethyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate
SMILESCOC(=O)Nc1ncc2c(c1C)N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C19H20F2N4O5/c1-9-15-10(7-22-17(9)23-18(26)30-5)8-25(19(27)24(15)2)16-13(20)11(28-3)6-12(29-4)14(16)21/h6-7H,8H2,1-5H3,(H,22,23,26)
InChIKeyNVLGODDPGOVSKJ-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.44
Rot. Bonds4

About methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate

methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate (PubChem CID 86301952) has the molecular formula C19H20F2N4O5 and a molecular weight of 422.39 g/mol. Its IUPAC name is methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate
PubChem CID86301952
Molecular FormulaC19H20F2N4O5
Molecular Weight422.39 g/mol
Exact Mass422.14
IUPAC Namemethyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate
SMILESCOC(=O)Nc1ncc2c(c1C)N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C19H20F2N4O5/c1-9-15-10(7-22-17(9)23-18(26)30-5)8-25(19(27)24(15)2)16-13(20)11(28-3)6-12(29-4)14(16)21/h6-7H,8H2,1-5H3,(H,22,23,26)
InChIKeyNVLGODDPGOVSKJ-UHFFFAOYSA-N
XLogP3.44
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate with MolForge

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Related Compounds

US10131667, Example 59
CID 86705643
6-[(3,5-dimethoxy-N-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 382165
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
US10131667, Example 77
CID 72947402
US10131667, Example 37
CID 86705611
US10131667, Example 49
CID 86705636
SoRI 8890
CID 72934
6-[(3,5-difluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028336
N-[3-[[7-[4-(diethylamino)butylamino]-3-(3,5-dimethoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 53313110
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-3,3,13-trimethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164612498
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-ethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,1'-cyclopropane]-4,12-dione
CID 164618305
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-(2-morpholin-4-ylethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164618827

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate?
The IUPAC name of methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate (CID 86301952) is methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate.
What is the SMILES notation for methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate?
The canonical SMILES for methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate is COC(=O)Nc1ncc2c(c1C)N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2.
What is the InChIKey of methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate?
The InChIKey is NVLGODDPGOVSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O5/c1-9-15-10(7-22-17(9)23-18(26)30-5)8-25(19(27)24(15)2)16-13(20)11(28-3)6-12(29-4)14(16)21/h6-7H,8H2,1-5H3,(H,22,23,26).
What are the key properties of methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate?
methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate has a molecular weight of 422.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]carbamate is sourced from PubChem (CID 86301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).