N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide

C27H30N4O3 — CID 42818814

IUPACN-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
SMILESCc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(Cc2ccccc2)C(=O)NC2CC2)C3)c(C)c1
InChIInChI=1S/C27H30N4O3/c1-16-9-12-20(17(2)13-16)24-23-22(30(3)27(34)29-24)15-31(26(23)33)21(25(32)28-19-10-11-19)14-18-7-5-4-6-8-18/h4-9,12-13,19,21,24H,10-11,14-15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyFJAPRCINICAVPM-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide

N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide (PubChem CID 42818814) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
PubChem CID42818814
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
SMILESCc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(Cc2ccccc2)C(=O)NC2CC2)C3)c(C)c1
InChIInChI=1S/C27H30N4O3/c1-16-9-12-20(17(2)13-16)24-23-22(30(3)27(34)29-24)15-31(26(23)33)21(25(32)28-19-10-11-19)14-18-7-5-4-6-8-18/h4-9,12-13,19,21,24H,10-11,14-15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyFJAPRCINICAVPM-UHFFFAOYSA-N
XLogP2.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide with MolForge

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Related Compounds

(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 93134982
(2S)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 93134980
(2R)-2-[(4S)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 98260025
(2S)-N-(3,4-dimethylphenyl)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 98259996
(2R)-2-[(4S)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 98404428
(2S)-N-benzyl-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
CID 93004156
N-(2-methoxyethyl)-2-[1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 42818763
(2R)-N-(3,5-dimethylphenyl)-2-[(4R)-1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 98198316
N-(3,5-dimethylphenyl)-2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 46075376
(2S)-N-cyclopropyl-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide
CID 93134730
2-[1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42818727
N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 51069470

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide (CID 42818814) is N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide is Cc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(Cc2ccccc2)C(=O)NC2CC2)C3)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide?
The InChIKey is FJAPRCINICAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-16-9-12-20(17(2)13-16)24-23-22(30(3)27(34)29-24)15-31(26(23)33)21(25(32)28-19-10-11-19)14-18-7-5-4-6-8-18/h4-9,12-13,19,21,24H,10-11,14-15H2,1-3H3,(H,28,32)(H,29,34).
What are the key properties of N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide?
N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide is sourced from PubChem (CID 42818814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).