5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C12H18N4O3 — CID 55173923

IUPAC5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O3/c1-13-6-8-2-4-16(5-3-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyXDIBGCNUBPSKBD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.87
Rot. Bonds3

About 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 55173923) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID55173923
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O3/c1-13-6-8-2-4-16(5-3-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyXDIBGCNUBPSKBD-UHFFFAOYSA-N
XLogP-0.87
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 55173923) is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CNCC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XDIBGCNUBPSKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-6-8-2-4-16(5-3-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19).
What are the key properties of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 55173923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).