2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine

C9H13N7S2 — CID 55044667

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCNc1snnc1CSc1nc(N)cc(N)n1
InChIInChI=1S/C9H13N7S2/c1-2-12-8-5(15-16-18-8)4-17-9-13-6(10)3-7(11)14-9/h3,12H,2,4H2,1H3,(H4,10,11,13,14)
InChIKeySFBHIKWCURMELG-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.22
Rot. Bonds5

About 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine

2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 55044667) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID55044667
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCNc1snnc1CSc1nc(N)cc(N)n1
InChIInChI=1S/C9H13N7S2/c1-2-12-8-5(15-16-18-8)4-17-9-13-6(10)3-7(11)14-9/h3,12H,2,4H2,1H3,(H4,10,11,13,14)
InChIKeySFBHIKWCURMELG-UHFFFAOYSA-N
XLogP1.22
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine (CID 55044667) is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine is CCNc1snnc1CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is SFBHIKWCURMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c1-2-12-8-5(15-16-18-8)4-17-9-13-6(10)3-7(11)14-9/h3,12H,2,4H2,1H3,(H4,10,11,13,14).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 283.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 55044667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).