6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione

C11H17N5O4 — CID 106192155

IUPAC6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2CNC(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O4/c1-20-3-2-16-9(12)8(10(18)15-11(16)19)14-6-4-7(17)13-5-6/h6,14H,2-5,12H2,1H3,(H,13,17)(H,15,18,19)
InChIKeyHDSVTIKHSUZHQC-UHFFFAOYSA-N
MW283.29 g/mol
LogP-1.93
Rot. Bonds5

About 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione (PubChem CID 106192155) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
PubChem CID106192155
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2CNC(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O4/c1-20-3-2-16-9(12)8(10(18)15-11(16)19)14-6-4-7(17)13-5-6/h6,14H,2-5,12H2,1H3,(H,13,17)(H,15,18,19)
InChIKeyHDSVTIKHSUZHQC-UHFFFAOYSA-N
XLogP-1.93
TPSA131.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60661650
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106214870
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 62517996
6-amino-1-butyl-5-(thian-4-ylamino)pyrimidine-2,4-dione
CID 115599961
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
CID 62525076
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione (CID 106192155) is 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione is COCCn1c(N)c(NC2CNC(=O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The InChIKey is HDSVTIKHSUZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-20-3-2-16-9(12)8(10(18)15-11(16)19)14-6-4-7(17)13-5-6/h6,14H,2-5,12H2,1H3,(H,13,17)(H,15,18,19).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione has a molecular weight of 283.29 g/mol, XLogP of -1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 106192155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).