1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione

C12H20N4O2 — CID 54949573

IUPAC1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(NCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H20N4O2/c1-14-5-4-10(8-14)13-6-9-7-15(2)12(18)16(3)11(9)17/h7,10,13H,4-6,8H2,1-3H3
InChIKeyFCJGJAWTHLMWHO-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.12
Rot. Bonds3

About 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 54949573) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
PubChem CID54949573
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCN1CCC(NCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C12H20N4O2/c1-14-5-4-10(8-14)13-6-9-7-15(2)12(18)16(3)11(9)17/h7,10,13H,4-6,8H2,1-3H3
InChIKeyFCJGJAWTHLMWHO-UHFFFAOYSA-N
XLogP-1.12
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione (CID 54949573) is 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione is CN1CCC(NCc2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is FCJGJAWTHLMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-5-4-10(8-14)13-6-9-7-15(2)12(18)16(3)11(9)17/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54949573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).