7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C21H24N4O4 — CID 42217363

IUPAC7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H24N4O4/c1-23-19-16(20(27)24(2)21(23)28)11-17(18(26)22-12-15-9-6-10-29-15)25(19)13-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyCJJNFXJULFHPLU-HNNXBMFYSA-N
MW396.45 g/mol
LogP1.00
Rot. Bonds5

About 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42217363) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42217363
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c2n(C)c1=O
InChIInChI=1S/C21H24N4O4/c1-23-19-16(20(27)24(2)21(23)28)11-17(18(26)22-12-15-9-6-10-29-15)25(19)13-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyCJJNFXJULFHPLU-HNNXBMFYSA-N
XLogP1.00
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazine-6-carboxamide
CID 93159812
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005410
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
3-benzyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenacylsulfanylquinazoline-7-carboxamide
CID 92864900
4-amino-3-benzyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 42585843
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42217363) is 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c2n(C)c1=O.
What is the InChIKey of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CJJNFXJULFHPLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-23-19-16(20(27)24(2)21(23)28)11-17(18(26)22-12-15-9-6-10-29-15)25(19)13-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42217363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).