5-(aminomethyl)-1H-pyrimidine-2,4-dione

C5H7N3O2 — CID 15218502

IUPAC5-(aminomethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1,6H2,(H2,7,8,9,10)
InChIKeyYJHUFZQMNTWHBO-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.48
Rot. Bonds1

About 5-(aminomethyl)-1H-pyrimidine-2,4-dione

5-(aminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15218502) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID15218502
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-(aminomethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1,6H2,(H2,7,8,9,10)
InChIKeyYJHUFZQMNTWHBO-UHFFFAOYSA-N
XLogP-1.48
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-1H-pyrimidine-2,4-dione (CID 15218502) is 5-(aminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-1H-pyrimidine-2,4-dione is NCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YJHUFZQMNTWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1,6H2,(H2,7,8,9,10).
What are the key properties of 5-(aminomethyl)-1H-pyrimidine-2,4-dione?
5-(aminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15218502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).