6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione

C10H11N4O2+ — CID 4556467

IUPAC6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc[nH+]1
InChIInChI=1S/C10H10N4O2/c11-8-5-9(15)13-10(16)14(8)6-7-3-1-2-4-12-7/h1-5H,6,11H2,(H,13,15,16)/p+1
InChIKeyOIJHPNZHNVHLOP-UHFFFAOYSA-O
MW219.22 g/mol
LogP-1.02
Rot. Bonds2

About 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 4556467) has the molecular formula C10H11N4O2+ and a molecular weight of 219.22 g/mol. Its IUPAC name is 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID4556467
Molecular FormulaC10H11N4O2+
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc[nH+]1
InChIInChI=1S/C10H10N4O2/c11-8-5-9(15)13-10(16)14(8)6-7-3-1-2-4-12-7/h1-5H,6,11H2,(H,13,15,16)/p+1
InChIKeyOIJHPNZHNVHLOP-UHFFFAOYSA-O
XLogP-1.02
TPSA95.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione (CID 4556467) is 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1cccc[nH+]1.
What is the InChIKey of 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is OIJHPNZHNVHLOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N4O2/c11-8-5-9(15)13-10(16)14(8)6-7-3-1-2-4-12-7/h1-5H,6,11H2,(H,13,15,16)/p+1.
What are the key properties of 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 219.22 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4556467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).