7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione

C22H27N5O4 — CID 42175974

IUPAC7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C22H27N5O4/c1-23-19-17(20(28)24(2)22(23)30)15-18(27(19)13-14-31-3)21(29)26-11-9-25(10-12-26)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeySFTYBLDAOPETQQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.65
Rot. Bonds5

About 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione

7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 42175974) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID42175974
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C22H27N5O4/c1-23-19-17(20(28)24(2)22(23)30)15-18(27(19)13-14-31-3)21(29)26-11-9-25(10-12-26)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeySFTYBLDAOPETQQ-UHFFFAOYSA-N
XLogP0.65
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175972
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175983
7-butyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175991
N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42209028
3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 15988106
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
(4-bromo-1-methylpyrrol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 43410970
[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5195635
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 121154381

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 42175974) is 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione is COCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SFTYBLDAOPETQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-23-19-17(20(28)24(2)22(23)30)15-18(27(19)13-14-31-3)21(29)26-11-9-25(10-12-26)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3.
What are the key properties of 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione?
7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 425.49 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42175974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).