2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C20H26N6O2 — CID 135524323

IUPAC2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc3c(=O)[nH]c(N(C)C)nc3[nH]2)CC1
InChIInChI=1S/C20H26N6O2/c1-24(2)20-22-18-15(19(27)23-20)12-14(21-18)13-25-8-10-26(11-9-25)16-6-4-5-7-17(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H2,21,22,23,27)
InChIKeyOIAXKPXJNIOPBF-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.65
Rot. Bonds5

About 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524323) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524323
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc3c(=O)[nH]c(N(C)C)nc3[nH]2)CC1
InChIInChI=1S/C20H26N6O2/c1-24(2)20-22-18-15(19(27)23-20)12-14(21-18)13-25-8-10-26(11-9-25)16-6-4-5-7-17(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H2,21,22,23,27)
InChIKeyOIAXKPXJNIOPBF-UHFFFAOYSA-N
XLogP1.65
TPSA80.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524323) is 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is COc1ccccc1N1CCN(Cc2cc3c(=O)[nH]c(N(C)C)nc3[nH]2)CC1.
What is the InChIKey of 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is OIAXKPXJNIOPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24(2)20-22-18-15(19(27)23-20)12-14(21-18)13-25-8-10-26(11-9-25)16-6-4-5-7-17(16)28-3/h4-7,12H,8-11,13H2,1-3H3,(H2,21,22,23,27).
What are the key properties of 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).