6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

C15H19N5O3 — CID 90194117

IUPAC6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1cc2cn(CC(=O)N3CCN(C)C(=O)C3)c(=O)nc2[nH]1
InChIInChI=1S/C15H19N5O3/c1-3-11-6-10-7-20(15(23)17-14(10)16-11)9-13(22)19-5-4-18(2)12(21)8-19/h6-7H,3-5,8-9H2,1-2H3,(H,16,17,23)
InChIKeyBUFQAAQRULPLBN-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.41
Rot. Bonds3

About 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 90194117) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID90194117
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1cc2cn(CC(=O)N3CCN(C)C(=O)C3)c(=O)nc2[nH]1
InChIInChI=1S/C15H19N5O3/c1-3-11-6-10-7-20(15(23)17-14(10)16-11)9-13(22)19-5-4-18(2)12(21)8-19/h6-7H,3-5,8-9H2,1-2H3,(H,16,17,23)
InChIKeyBUFQAAQRULPLBN-UHFFFAOYSA-N
XLogP-0.41
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 58354093
6-(butoxymethyl)-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 58354106
5-(4-Methylpiperazine-1-carbonyl)-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 69303458
3-(diaminomethylideneamino)-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 70653548
N-[3-(diaminomethylideneamino)propyl]-2-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 70653677
3-amino-N-[3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 70653678
N-[3-(diaminomethylideneamino)propyl]-3-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 70653815
2-[3-[4-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
CID 118527308
3-amino-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 118527353
N-[3-(diaminomethylideneamino)propyl]-3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 118527355
3-(diaminomethylideneamino)-N-[3-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propyl]propanamide
CID 118527486
N-[3-(diaminomethylideneamino)propyl]-2-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 118527488

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 90194117) is 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is CCc1cc2cn(CC(=O)N3CCN(C)C(=O)C3)c(=O)nc2[nH]1.
What is the InChIKey of 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is BUFQAAQRULPLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-11-6-10-7-20(15(23)17-14(10)16-11)9-13(22)19-5-4-18(2)12(21)8-19/h6-7H,3-5,8-9H2,1-2H3,(H,16,17,23).
What are the key properties of 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 317.35 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90194117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).