4,6-diamino-1-prop-2-enylpyrimidine-2-thione

C7H10N4S — CID 15200363

IUPAC4,6-diamino-1-prop-2-enylpyrimidine-2-thione
SMILESC=CCn1c(N)cc(N)nc1=S
InChIInChI=1S/C7H10N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h2,4H,1,3,9H2,(H2,8,10,12)
InChIKeyJIKBEZDHNUDCKW-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.96
Rot. Bonds2

About 4,6-diamino-1-prop-2-enylpyrimidine-2-thione

4,6-diamino-1-prop-2-enylpyrimidine-2-thione (PubChem CID 15200363) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,6-diamino-1-prop-2-enylpyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diamino-1-prop-2-enylpyrimidine-2-thione
PubChem CID15200363
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name4,6-diamino-1-prop-2-enylpyrimidine-2-thione
SMILESC=CCn1c(N)cc(N)nc1=S
InChIInChI=1S/C7H10N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h2,4H,1,3,9H2,(H2,8,10,12)
InChIKeyJIKBEZDHNUDCKW-UHFFFAOYSA-N
XLogP0.96
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1-prop-2-enylpyrimidine-2-thione?
The IUPAC name of 4,6-diamino-1-prop-2-enylpyrimidine-2-thione (CID 15200363) is 4,6-diamino-1-prop-2-enylpyrimidine-2-thione.
What is the SMILES notation for 4,6-diamino-1-prop-2-enylpyrimidine-2-thione?
The canonical SMILES for 4,6-diamino-1-prop-2-enylpyrimidine-2-thione is C=CCn1c(N)cc(N)nc1=S.
What is the InChIKey of 4,6-diamino-1-prop-2-enylpyrimidine-2-thione?
The InChIKey is JIKBEZDHNUDCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h2,4H,1,3,9H2,(H2,8,10,12).
What are the key properties of 4,6-diamino-1-prop-2-enylpyrimidine-2-thione?
4,6-diamino-1-prop-2-enylpyrimidine-2-thione has a molecular weight of 182.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1-prop-2-enylpyrimidine-2-thione is sourced from PubChem (CID 15200363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).