4,6-diamino-1-propylpyrimidine-2-thione

C7H12N4S — CID 15200361

IUPAC4,6-diamino-1-propylpyrimidine-2-thione
SMILESCCCn1c(N)cc(N)nc1=S
InChIInChI=1S/C7H12N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h4H,2-3,9H2,1H3,(H2,8,10,12)
InChIKeyDMSUVAUEEHZWAM-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.19
Rot. Bonds2

About 4,6-diamino-1-propylpyrimidine-2-thione

4,6-diamino-1-propylpyrimidine-2-thione (PubChem CID 15200361) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4,6-diamino-1-propylpyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diamino-1-propylpyrimidine-2-thione
PubChem CID15200361
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4,6-diamino-1-propylpyrimidine-2-thione
SMILESCCCn1c(N)cc(N)nc1=S
InChIInChI=1S/C7H12N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h4H,2-3,9H2,1H3,(H2,8,10,12)
InChIKeyDMSUVAUEEHZWAM-UHFFFAOYSA-N
XLogP1.19
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1-propylpyrimidine-2-thione?
The IUPAC name of 4,6-diamino-1-propylpyrimidine-2-thione (CID 15200361) is 4,6-diamino-1-propylpyrimidine-2-thione.
What is the SMILES notation for 4,6-diamino-1-propylpyrimidine-2-thione?
The canonical SMILES for 4,6-diamino-1-propylpyrimidine-2-thione is CCCn1c(N)cc(N)nc1=S.
What is the InChIKey of 4,6-diamino-1-propylpyrimidine-2-thione?
The InChIKey is DMSUVAUEEHZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-3-11-6(9)4-5(8)10-7(11)12/h4H,2-3,9H2,1H3,(H2,8,10,12).
What are the key properties of 4,6-diamino-1-propylpyrimidine-2-thione?
4,6-diamino-1-propylpyrimidine-2-thione has a molecular weight of 184.27 g/mol, XLogP of 1.19, 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-propylpyrimidine-2-thione is sourced from PubChem (CID 15200361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).