[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate

C24H26N6O4 — CID 44574225

IUPAC[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-21(19)22(31)30(12-4-2)24(29)33)17-7-5-16(6-8-17)15-34-23(32)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,32)
InChIKeyFBWGREMSYFZWFR-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.52
Rot. Bonds8

About [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate

[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate (PubChem CID 44574225) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate.

Molecular Properties

Compound Name[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate
PubChem CID44574225
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-21(19)22(31)30(12-4-2)24(29)33)17-7-5-16(6-8-17)15-34-23(32)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,32)
InChIKeyFBWGREMSYFZWFR-UHFFFAOYSA-N
XLogP3.52
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190894
2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190895
2-(2-aminopyrimidin-4-yl)-6-[(benzyloxy)methyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23582586
[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-fluorophenylcarbamate
CID 44574222
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(5-methyl-2-pyridinyl)acetamide
CID 11525776
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyridin-2-ylacetamide
CID 11676986
(r)-2-(2-Amino-pyrimidin-4-yl)-6-benzyloxymethyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 25194016
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate
CID 44574117
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-4-fluorophenylcarbamate
CID 44574118
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl pyridin-2-ylcarbamate
CID 44574167
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-phenylpiperazine-1-carboxylate
CID 44574191
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 44574192

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate?
The IUPAC name of [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate (CID 44574225) is [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate.
What is the SMILES notation for [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate?
The canonical SMILES for [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate is CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O.
What is the InChIKey of [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate?
The InChIKey is FBWGREMSYFZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-21(19)22(31)30(12-4-2)24(29)33)17-7-5-16(6-8-17)15-34-23(32)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,32).
What are the key properties of [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate?
[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate has a molecular weight of 462.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-pyrazin-2-ylcarbamate is sourced from PubChem (CID 44574225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).