(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide

C24H34N4O3 — CID 93134768

IUPAC(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide
SMILESCCN1C(=O)N[C@H](c2ccc(C)cc2C)C2=C1CN([C@H](CC(C)C)C(=O)N(C)C)C2=O
InChIInChI=1S/C24H34N4O3/c1-8-27-19-13-28(18(11-14(2)3)22(29)26(6)7)23(30)20(19)21(25-24(27)31)17-10-9-15(4)12-16(17)5/h9-10,12,14,18,21H,8,11,13H2,1-7H3,(H,25,31)/t18-,21-/m1/s1
InChIKeyDFHMGYHHBCGGJO-WIYYLYMNSA-N
MW426.56 g/mol
LogP2.99
Rot. Bonds6

About (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide

(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide (PubChem CID 93134768) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide
PubChem CID93134768
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide
SMILESCCN1C(=O)N[C@H](c2ccc(C)cc2C)C2=C1CN([C@H](CC(C)C)C(=O)N(C)C)C2=O
InChIInChI=1S/C24H34N4O3/c1-8-27-19-13-28(18(11-14(2)3)22(29)26(6)7)23(30)20(19)21(25-24(27)31)17-10-9-15(4)12-16(17)5/h9-10,12,14,18,21H,8,11,13H2,1-7H3,(H,25,31)/t18-,21-/m1/s1
InChIKeyDFHMGYHHBCGGJO-WIYYLYMNSA-N
XLogP2.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(4S)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
CID 98406336
2-[4-(2,4-dimethylphenyl)-2,5-dioxo-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-ethyl-N,4-dimethylpentanamide
CID 42818972
(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
(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
(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
(2S)-N-ethyl-2-[(4S)-1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,4-dimethylpentanamide
CID 93134845
(2S)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide
CID 93004318
(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]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 98260025
N-ethyl-N,4-dimethyl-2-[4-(4-methylphenyl)-2,5-dioxo-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]pentanamide
CID 42818977
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide?
The IUPAC name of (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide (CID 93134768) is (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide.
What is the SMILES notation for (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide?
The canonical SMILES for (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide is CCN1C(=O)N[C@H](c2ccc(C)cc2C)C2=C1CN([C@H](CC(C)C)C(=O)N(C)C)C2=O.
What is the InChIKey of (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide?
The InChIKey is DFHMGYHHBCGGJO-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-8-27-19-13-28(18(11-14(2)3)22(29)26(6)7)23(30)20(19)21(25-24(27)31)17-10-9-15(4)12-16(17)5/h9-10,12,14,18,21H,8,11,13H2,1-7H3,(H,25,31)/t18-,21-/m1/s1.
What are the key properties of (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide?
(2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide has a molecular weight of 426.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 93134768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).