6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C12H18N4O3 — CID 61205458

IUPAC6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-13-6-8-3-2-4-16(7-8)11(18)9-5-10(17)15-12(19)14-9/h5,8,13H,2-4,6-7H2,1H3,(H2,14,15,17,19)
InChIKeyCQUHMBDNXGGXAC-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.87
Rot. Bonds3

About 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 61205458) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID61205458
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-13-6-8-3-2-4-16(7-8)11(18)9-5-10(17)15-12(19)14-9/h5,8,13H,2-4,6-7H2,1H3,(H2,14,15,17,19)
InChIKeyCQUHMBDNXGGXAC-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 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 61205458) is 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CNCC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CQUHMBDNXGGXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-6-8-3-2-4-16(7-8)11(18)9-5-10(17)15-12(19)14-9/h5,8,13H,2-4,6-7H2,1H3,(H2,14,15,17,19).
What are the key properties of 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(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 6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 61205458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).