6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one

C9H14N4O3 — CID 139061700

IUPAC6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H9NO.C4H5N3O2/c1-6-4-2-3-5(6)7;5-2-1-3(8)7-4(9)6-2/h2-4H2,1H3;1H,(H4,5,6,7,8,9)
InChIKeyVEJRCDOFRXZGEL-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.12
Rot. Bonds

About 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one

6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one (PubChem CID 139061700) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one
PubChem CID139061700
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H9NO.C4H5N3O2/c1-6-4-2-3-5(6)7;5-2-1-3(8)7-4(9)6-2/h2-4H2,1H3;1H,(H4,5,6,7,8,9)
InChIKeyVEJRCDOFRXZGEL-UHFFFAOYSA-N
XLogP-1.12
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one?
The IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one (CID 139061700) is 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one.
What is the SMILES notation for 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one?
The canonical SMILES for 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one is CN1CCCC1=O.Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one?
The InChIKey is VEJRCDOFRXZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H5N3O2/c1-6-4-2-3-5(6)7;5-2-1-3(8)7-4(9)6-2/h2-4H2,1H3;1H,(H4,5,6,7,8,9).
What are the key properties of 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one?
6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one has a molecular weight of 226.24 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidine-2,4-dione;1-methylpyrrolidin-2-one is sourced from PubChem (CID 139061700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).