4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one

C18H24N6O3 — CID 58130007

IUPAC4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCOc1nc(N)c2c(n1)N(Cc1ccc(OCCN(C)C)nc1)C(=O)C2
InChIInChI=1S/C18H24N6O3/c1-4-26-18-21-16(19)13-9-15(25)24(17(13)22-18)11-12-5-6-14(20-10-12)27-8-7-23(2)3/h5-6,10H,4,7-9,11H2,1-3H3,(H2,19,21,22)
InChIKeyNWGDMMNNMOXZMH-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.88
Rot. Bonds8

About 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58130007) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58130007
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCOc1nc(N)c2c(n1)N(Cc1ccc(OCCN(C)C)nc1)C(=O)C2
InChIInChI=1S/C18H24N6O3/c1-4-26-18-21-16(19)13-9-15(25)24(17(13)22-18)11-12-5-6-14(20-10-12)27-8-7-23(2)3/h5-6,10H,4,7-9,11H2,1-3H3,(H2,19,21,22)
InChIKeyNWGDMMNNMOXZMH-UHFFFAOYSA-N
XLogP0.88
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

Dsr-6434
CID 25071151
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071150
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
2-Amino-8-cyclopentyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259019
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 59281148
2-amino-8-isopropyl-4-methoxy-6-(6-methoxypyridin-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 52945133
N-(2-(6-methoxy-3-(morpholinomethyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
CID 54586060
4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56665641
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 71520574
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 145951131

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58130007) is 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCOc1nc(N)c2c(n1)N(Cc1ccc(OCCN(C)C)nc1)C(=O)C2.
What is the InChIKey of 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NWGDMMNNMOXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-4-26-18-21-16(19)13-9-15(25)24(17(13)22-18)11-12-5-6-14(20-10-12)27-8-7-23(2)3/h5-6,10H,4,7-9,11H2,1-3H3,(H2,19,21,22).
What are the key properties of 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 372.43 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-2-ethoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58130007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).