6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 786680

IUPAC6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-3-8-5-4-6(11)10(2)7(12)9-5/h4,8H,3H2,1-2H3,(H,9,12)
InChIKeyRFHQHCHZSCUFSL-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.49
Rot. Bonds2

About 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione

6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 786680) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID786680
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-3-8-5-4-6(11)10(2)7(12)9-5/h4,8H,3H2,1-2H3,(H,9,12)
InChIKeyRFHQHCHZSCUFSL-UHFFFAOYSA-N
XLogP-0.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 786680) is 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione is CCNc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RFHQHCHZSCUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-8-5-4-6(11)10(2)7(12)9-5/h4,8H,3H2,1-2H3,(H,9,12).
What are the key properties of 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 786680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).