5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione

C6H9N3O2 — CID 57357509

IUPAC5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)
InChIKeyDMYXWQPNMMVHBF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.04
Rot. Bonds

About 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione

5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 57357509) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID57357509
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)
InChIKeyDMYXWQPNMMVHBF-UHFFFAOYSA-N
XLogP-1.04
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione (CID 57357509) is 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C)c(=O)c1N.
What is the InChIKey of 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is DMYXWQPNMMVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11).
What are the key properties of 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione?
5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 57357509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).