4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

C7H12N4S — CID 22329448

IUPAC4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1nc(SC)nc(N)c1C
InChIInChI=1S/C7H12N4S/c1-4-5(8)10-7(12-3)11-6(4)9-2/h1-3H3,(H3,8,9,10,11)
InChIKeyDPQYAPZLQCVTHQ-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.13
Rot. Bonds2

About 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 22329448) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID22329448
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1nc(SC)nc(N)c1C
InChIInChI=1S/C7H12N4S/c1-4-5(8)10-7(12-3)11-6(4)9-2/h1-3H3,(H3,8,9,10,11)
InChIKeyDPQYAPZLQCVTHQ-UHFFFAOYSA-N
XLogP1.13
TPSA63.83 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 22329448) is 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1nc(SC)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is DPQYAPZLQCVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4-5(8)10-7(12-3)11-6(4)9-2/h1-3H3,(H3,8,9,10,11).
What are the key properties of 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 22329448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).