6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione

C23H29N5O4 — CID 42175983

IUPAC6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C23H29N5O4/c1-5-10-28-18(15-16-20(28)24(2)23(31)25(3)21(16)29)22(30)27-13-11-26(12-14-27)17-8-6-7-9-19(17)32-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyCIPLCSKYTWEXEP-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.42
Rot. Bonds5

About 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione

6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 42175983) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID42175983
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C23H29N5O4/c1-5-10-28-18(15-16-20(28)24(2)23(31)25(3)21(16)29)22(30)27-13-11-26(12-14-27)17-8-6-7-9-19(17)32-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyCIPLCSKYTWEXEP-UHFFFAOYSA-N
XLogP1.42
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-butyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175991
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175972
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
CID 53134494
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840931
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 36702710
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
(1-benzyl-4-butan-2-yloxyindol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42666992
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
(3,5-dichloro-4-heptoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18848584

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 42175983) is 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione is CCCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CIPLCSKYTWEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-5-10-28-18(15-16-20(28)24(2)23(31)25(3)21(16)29)22(30)27-13-11-26(12-14-27)17-8-6-7-9-19(17)32-4/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione?
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 439.52 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).