5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione

C12H14N4O2 — CID 15665558

IUPAC5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCc2ccccc2)c(N)c1=O
InChIInChI=1S/C12H14N4O2/c1-16-11(17)9(13)10(15-12(16)18)14-7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,18)
InChIKeyYOGBMLYUJJVOAM-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.27
Rot. Bonds3

About 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione

5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 15665558) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID15665558
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCc2ccccc2)c(N)c1=O
InChIInChI=1S/C12H14N4O2/c1-16-11(17)9(13)10(15-12(16)18)14-7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,18)
InChIKeyYOGBMLYUJJVOAM-UHFFFAOYSA-N
XLogP0.27
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 15665558) is 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(NCc2ccccc2)c(N)c1=O.
What is the InChIKey of 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is YOGBMLYUJJVOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-11(17)9(13)10(15-12(16)18)14-7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,18).
What are the key properties of 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione?
5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15665558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).