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

C4H6N4O2 — CID 67079217

IUPAC3,5-diamino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c5-2-1-7-4(10)8(6)3(2)9/h1H,5-6H2,(H,7,10)
InChIKeyVTCKFNFRTZJQTB-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.17
Rot. Bonds

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

3,5-diamino-1H-pyrimidine-2,4-dione (PubChem CID 67079217) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 3,5-diamino-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-diamino-1H-pyrimidine-2,4-dione
PubChem CID67079217
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name3,5-diamino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c5-2-1-7-4(10)8(6)3(2)9/h1H,5-6H2,(H,7,10)
InChIKeyVTCKFNFRTZJQTB-UHFFFAOYSA-N
XLogP-2.17
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,5-diamino-1H-pyrimidine-2,4-dione (CID 67079217) is 3,5-diamino-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,5-diamino-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,5-diamino-1H-pyrimidine-2,4-dione is Nc1c[nH]c(=O)n(N)c1=O.
What is the InChIKey of 3,5-diamino-1H-pyrimidine-2,4-dione?
The InChIKey is VTCKFNFRTZJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-2-1-7-4(10)8(6)3(2)9/h1H,5-6H2,(H,7,10).
What are the key properties of 3,5-diamino-1H-pyrimidine-2,4-dione?
3,5-diamino-1H-pyrimidine-2,4-dione has a molecular weight of 142.12 g/mol, XLogP of -2.17, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67079217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).