3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione

C6H9N3O2 — CID 67427146

IUPAC3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione
SMILESCNc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O2/c1-7-4-3-8-6(11)9(2)5(4)10/h3,7H,1-2H3,(H,8,11)
InChIKeyTVHQCACYIXDKTM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.88
Rot. Bonds1

About 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione

3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione (PubChem CID 67427146) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione
PubChem CID67427146
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione
SMILESCNc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O2/c1-7-4-3-8-6(11)9(2)5(4)10/h3,7H,1-2H3,(H,8,11)
InChIKeyTVHQCACYIXDKTM-UHFFFAOYSA-N
XLogP-0.88
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione (CID 67427146) is 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione is CNc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is TVHQCACYIXDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-4-3-8-6(11)9(2)5(4)10/h3,7H,1-2H3,(H,8,11).
What are the key properties of 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione?
3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67427146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).