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

C23H29N3O4 — CID 4860495

IUPACpropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C(C)C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C23H29N3O4/c1-12(2)15-8-10-16(11-9-15)18-17(22(28)30-13(3)4)14(5)24-20-19(18)21(27)26(7)23(29)25(20)6/h8-13,18,24H,1-7H3
InChIKeyMADVJOFAXPLTSN-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.99
Rot. Bonds4

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

propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 4860495) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID4860495
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Namepropan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C(C)C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C23H29N3O4/c1-12(2)15-8-10-16(11-9-15)18-17(22(28)30-13(3)4)14(5)24-20-19(18)21(27)26(7)23(29)25(20)6/h8-13,18,24H,1-7H3
InChIKeyMADVJOFAXPLTSN-UHFFFAOYSA-N
XLogP2.99
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 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) is propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-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-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccc(C(C)C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1.
What is the InChIKey of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MADVJOFAXPLTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-12(2)15-8-10-16(11-9-15)18-17(22(28)30-13(3)4)14(5)24-20-19(18)21(27)26(7)23(29)25(20)6/h8-13,18,24H,1-7H3.
What are the key properties of propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,3,7-trimethyl-2,4-dioxo-5-(4-propan-2-ylphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 4860495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).