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

C10H16N4O2 — CID 115114598

IUPAC5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
SMILESCN1CCC(Cn2cc(N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H16N4O2/c1-13-3-2-7(4-13)5-14-6-8(11)9(15)12-10(14)16/h6-7H,2-5,11H2,1H3,(H,12,15,16)
InChIKeyYMIQKSILOLVACX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.93
Rot. Bonds2

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

5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 115114598) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID115114598
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
SMILESCN1CCC(Cn2cc(N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H16N4O2/c1-13-3-2-7(4-13)5-14-6-8(11)9(15)12-10(14)16/h6-7H,2-5,11H2,1H3,(H,12,15,16)
InChIKeyYMIQKSILOLVACX-UHFFFAOYSA-N
XLogP-0.93
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64535130
1-[(1-ethylpyrrolidin-3-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 113225186
2,4-dioxo-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxylic acid
CID 79876463
5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 63801121
6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
CID 54933352
4-iodo-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
CID 114604123
5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 63799206
3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
CID 103125432
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
CID 165473870
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione (CID 115114598) is 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione is CN1CCC(Cn2cc(N)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is YMIQKSILOLVACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-3-2-7(4-13)5-14-6-8(11)9(15)12-10(14)16/h6-7H,2-5,11H2,1H3,(H,12,15,16).
What are the key properties of 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 115114598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).