N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide

C26H28N4O5 — CID 4898721

IUPACN-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(NC(=O)C(C)C)c(OC)c2)cc1
InChIInChI=1S/C26H28N4O5/c1-15(2)24(31)27-19-12-9-17(13-21(19)35-6)30-14-20-22(25(32)29(4)26(33)28(20)3)23(30)16-7-10-18(34-5)11-8-16/h7-15H,1-6H3,(H,27,31)
InChIKeyRACDHYLFNCJGMR-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.31
Rot. Bonds6

About N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide

N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide (PubChem CID 4898721) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide
PubChem CID4898721
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(NC(=O)C(C)C)c(OC)c2)cc1
InChIInChI=1S/C26H28N4O5/c1-15(2)24(31)27-19-12-9-17(13-21(19)35-6)30-14-20-22(25(32)29(4)26(33)28(20)3)23(30)16-7-10-18(34-5)11-8-16/h7-15H,1-6H3,(H,27,31)
InChIKeyRACDHYLFNCJGMR-UHFFFAOYSA-N
XLogP3.31
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-bromophenyl)-6-(2,4-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 18524055
N-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]-4-methoxybenzamide
CID 4897349
6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4971237
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
N-(2,4-dimethoxyphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53027824
1,3-dimethyl-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4892672
6-(4-amino-3,5-dibromophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 5299501
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide (CID 4898721) is N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(NC(=O)C(C)C)c(OC)c2)cc1.
What is the InChIKey of N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide?
The InChIKey is RACDHYLFNCJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-15(2)24(31)27-19-12-9-17(13-21(19)35-6)30-14-20-22(25(32)29(4)26(33)28(20)3)23(30)16-7-10-18(34-5)11-8-16/h7-15H,1-6H3,(H,27,31).
What are the key properties of N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide?
N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide has a molecular weight of 476.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 4898721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).