1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C23H24N6O4S — CID 68893990

IUPAC1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O
InChIInChI=1S/C23H24N6O4S/c1-26-19-15-18(25-21(19)22(30)27(2)23(26)31)16-6-8-17(9-7-16)34(32,33)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,15,25H,11-14H2,1-2H3
InChIKeySDKMNQIPDHFYHP-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.14
Rot. Bonds4

About 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 68893990) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID68893990
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O
InChIInChI=1S/C23H24N6O4S/c1-26-19-15-18(25-21(19)22(30)27(2)23(26)31)16-6-8-17(9-7-16)34(32,33)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,15,25H,11-14H2,1-2H3
InChIKeySDKMNQIPDHFYHP-UHFFFAOYSA-N
XLogP1.14
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-[4-(furan-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68893198
6-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68894632
6-[4-[4-[(2-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68893959
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
6-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68896833
6-[4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68966558
4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
CID 21004803
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
N-[2-[benzyl(methyl)amino]ethyl]-4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
CID 68897985
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 68893990) is 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is SDKMNQIPDHFYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-26-19-15-18(25-21(19)22(30)27(2)23(26)31)16-6-8-17(9-7-16)34(32,33)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,15,25H,11-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 480.55 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 68893990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).