methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate

C19H24N6O4 — CID 67054417

IUPACmethyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(NCC(=O)OC)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C19H24N6O4/c1-4-8-24-17-15(18(27)25(9-5-2)19(24)28)22-16(23-17)12-6-7-13(20-10-12)21-11-14(26)29-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDYCHNZQGYXNVIP-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.35
Rot. Bonds8

About methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate

methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate (PubChem CID 67054417) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate
PubChem CID67054417
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Namemethyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(NCC(=O)OC)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C19H24N6O4/c1-4-8-24-17-15(18(27)25(9-5-2)19(24)28)22-16(23-17)12-6-7-13(20-10-12)21-11-14(26)29-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDYCHNZQGYXNVIP-UHFFFAOYSA-N
XLogP1.35
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate with MolForge

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Related Compounds

8-[6-[(2-oxo-2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054424
8-[6-(2,2-dimethoxyethylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054373
8-[6-(methylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054391
8-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 59648315
8-[6-(cyclopentylamino)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054307
8-[6-[[2-(6-chloro-3-pyridinyl)-2-oxoethyl]amino]-3-pyridinyl]-3-[1-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione
CID 87251407
8-(4-iodophenyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11123022
1-cyclopropyl-3-propyl-8-[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]-7H-purine-2,6-dione
CID 59648331
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 15704365
[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl] N-(2-aminoethyl)carbamate
CID 25069791
1,3-bis(ethylamino)-8-[6-(ethylamino)-3-pyridinyl]-7H-purine-2,6-dione
CID 174665566
N-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-2-(4-methylphenyl)acetamide
CID 23928161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate (CID 67054417) is methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate is CCCn1c(=O)c2[nH]c(-c3ccc(NCC(=O)OC)nc3)nc2n(CCC)c1=O.
What is the InChIKey of methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate?
The InChIKey is DYCHNZQGYXNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-4-8-24-17-15(18(27)25(9-5-2)19(24)28)22-16(23-17)12-6-7-13(20-10-12)21-11-14(26)29-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate?
methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate has a molecular weight of 400.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 67054417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).