N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide

C26H30N6O6 — CID 11656570

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C26H30N6O6/c1-5-11-31-19-13-18(27-23(19)24(34)32(12-6-2)26(31)35)16-7-9-17(10-8-16)38-15-21(33)28-20-14-22(36-3)30-25(29-20)37-4/h7-10,13-14,27H,5-6,11-12,15H2,1-4H3,(H,28,29,30,33)
InChIKeyGPFAWXMAIJMLRE-UHFFFAOYSA-N
MW522.56 g/mol
LogP2.80
Rot. Bonds11

About N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide

N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide (PubChem CID 11656570) has the molecular formula C26H30N6O6 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
PubChem CID11656570
Molecular FormulaC26H30N6O6
Molecular Weight522.56 g/mol
Exact Mass522.22
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C26H30N6O6/c1-5-11-31-19-13-18(27-23(19)24(34)32(12-6-2)26(31)35)16-7-9-17(10-8-16)38-15-21(33)28-20-14-22(36-3)30-25(29-20)37-4/h7-10,13-14,27H,5-6,11-12,15H2,1-4H3,(H,28,29,30,33)
InChIKeyGPFAWXMAIJMLRE-UHFFFAOYSA-N
XLogP2.80
TPSA142.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide (CID 11656570) is N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide is CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
The InChIKey is GPFAWXMAIJMLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O6/c1-5-11-31-19-13-18(27-23(19)24(34)32(12-6-2)26(31)35)16-7-9-17(10-8-16)38-15-21(33)28-20-14-22(36-3)30-25(29-20)37-4/h7-10,13-14,27H,5-6,11-12,15H2,1-4H3,(H,28,29,30,33).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide?
N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide has a molecular weight of 522.56 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide is sourced from PubChem (CID 11656570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).