N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C26H30N4O6 — CID 131882894

IUPACN-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCOc1ccccc1-n1c(N)c(NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(=O)n(C)c1=O
InChIInChI=1S/C26H30N4O6/c1-13-14(2)21-16(15(3)20(13)31)11-12-26(4,36-21)24(33)28-19-22(27)30(25(34)29(5)23(19)32)17-9-7-8-10-18(17)35-6/h7-10,31H,11-12,27H2,1-6H3,(H,28,33)
InChIKeyURNNPFWJMSESDQ-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.48
Rot. Bonds4

About N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 131882894) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID131882894
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC NameN-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCOc1ccccc1-n1c(N)c(NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(=O)n(C)c1=O
InChIInChI=1S/C26H30N4O6/c1-13-14(2)21-16(15(3)20(13)31)11-12-26(4,36-21)24(33)28-19-22(27)30(25(34)29(5)23(19)32)17-9-7-8-10-18(17)35-6/h7-10,31H,11-12,27H2,1-6H3,(H,28,33)
InChIKeyURNNPFWJMSESDQ-UHFFFAOYSA-N
XLogP2.48
TPSA137.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 131882894) is N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is COc1ccccc1-n1c(N)c(NC(=O)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(=O)n(C)c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is URNNPFWJMSESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-13-14(2)21-16(15(3)20(13)31)11-12-26(4,36-21)24(33)28-19-22(27)30(25(34)29(5)23(19)32)17-9-7-8-10-18(17)35-6/h7-10,31H,11-12,27H2,1-6H3,(H,28,33).
What are the key properties of N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyphenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 131882894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).