2-propylsulfanylpyrimidine-4,6-diamine

C7H12N4S — CID 18930934

IUPAC2-propylsulfanylpyrimidine-4,6-diamine
SMILESCCCSc1nc(N)cc(N)n1
InChIInChI=1S/C7H12N4S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3,(H4,8,9,10,11)
InChIKeyZYYJYFOZONDZCB-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.14
Rot. Bonds3

About 2-propylsulfanylpyrimidine-4,6-diamine

2-propylsulfanylpyrimidine-4,6-diamine (PubChem CID 18930934) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-propylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propylsulfanylpyrimidine-4,6-diamine
PubChem CID18930934
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-propylsulfanylpyrimidine-4,6-diamine
SMILESCCCSc1nc(N)cc(N)n1
InChIInChI=1S/C7H12N4S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3,(H4,8,9,10,11)
InChIKeyZYYJYFOZONDZCB-UHFFFAOYSA-N
XLogP1.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-propylsulfanylpyrimidine-4,6-diamine (CID 18930934) is 2-propylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-propylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-propylsulfanylpyrimidine-4,6-diamine is CCCSc1nc(N)cc(N)n1.
What is the InChIKey of 2-propylsulfanylpyrimidine-4,6-diamine?
The InChIKey is ZYYJYFOZONDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3,(H4,8,9,10,11).
What are the key properties of 2-propylsulfanylpyrimidine-4,6-diamine?
2-propylsulfanylpyrimidine-4,6-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 18930934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).