propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C23H29N3O7 — CID 4860472

IUPACpropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(OC)c(C2C(C(=O)OC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H29N3O7/c1-11(2)33-22(28)17-12(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)13-9-15(31-7)16(32-8)10-14(13)30-6/h9-11,18,24H,1-8H3
InChIKeyQVCZJUBTXNLVAP-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.89
Rot. Bonds6

About propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 4860472) has the molecular formula C23H29N3O7 and a molecular weight of 459.50 g/mol. Its IUPAC name is propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID4860472
Molecular FormulaC23H29N3O7
Molecular Weight459.50 g/mol
Exact Mass459.20
IUPAC Namepropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(OC)c(C2C(C(=O)OC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H29N3O7/c1-11(2)33-22(28)17-12(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)13-9-15(31-7)16(32-8)10-14(13)30-6/h9-11,18,24H,1-8H3
InChIKeyQVCZJUBTXNLVAP-UHFFFAOYSA-N
XLogP1.89
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4860495
propan-2-yl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843715
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
2-methylpropyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 18867037
prop-2-enyl (5S)-5-(3-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172550
prop-2-enyl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4860494
2-methylpropyl (5S)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 51921767
2-methylpropyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 18867027
prop-2-enyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172538
prop-2-enyl (5S)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 41092565
prop-2-enyl (5R)-5-(4-methoxycarbonylphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 41092564
prop-2-enyl (5R)-5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172543

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 4860472) is propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is COc1cc(OC)c(C2C(C(=O)OC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is QVCZJUBTXNLVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7/c1-11(2)33-22(28)17-12(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)13-9-15(31-7)16(32-8)10-14(13)30-6/h9-11,18,24H,1-8H3.
What are the key properties of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 459.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(2,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 4860472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).