5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione

C5H8N4O2 — CID 1201412

IUPAC5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N)c1=O
InChIInChI=1S/C5H8N4O2/c1-9-4(10)2(6)3(7)8-5(9)11/h6-7H2,1H3,(H,8,11)
InChIKeyKNGVGMVHBVVSCF-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.76
Rot. Bonds

About 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione

5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 1201412) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID1201412
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N)c(N)c1=O
InChIInChI=1S/C5H8N4O2/c1-9-4(10)2(6)3(7)8-5(9)11/h6-7H2,1H3,(H,8,11)
InChIKeyKNGVGMVHBVVSCF-UHFFFAOYSA-N
XLogP-1.76
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione (CID 1201412) is 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N)c(N)c1=O.
What is the InChIKey of 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KNGVGMVHBVVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-4(10)2(6)3(7)8-5(9)11/h6-7H2,1H3,(H,8,11).
What are the key properties of 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione?
5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 156.15 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1201412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).