6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C19H23N3O3 — CID 44588472

IUPAC6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C19H23N3O3/c1-4-10-21-16-12-15(13-6-8-14(25-3)9-7-13)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeySERGQABLLZFSEN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds6

About 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 44588472) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID44588472
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C19H23N3O3/c1-4-10-21-16-12-15(13-6-8-14(25-3)9-7-13)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeySERGQABLLZFSEN-UHFFFAOYSA-N
XLogP2.99
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-(2-hydroxyethyl)-2-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
CID 44583036
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 4013695
7-methoxy-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 937984
3-amino-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
CID 814546
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
Marinacarboline A
CID 56598999
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10765077
6-(2-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11179094
3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11212981
6-(4-Methoxy-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44399581
3-[2-(4-Methoxy-phenyl)-ethyl]-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 917283
7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 938420

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 44588472) is 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is SERGQABLLZFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-10-21-16-12-15(13-6-8-14(25-3)9-7-13)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 44588472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).