5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine

C18H23N7S2 — CID 155104867

IUPAC5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
SMILESCCN(CCN)c1ccc(Nc2nccc(-c3sc(SC)nc3C)n2)nc1
InChIInChI=1S/C18H23N7S2/c1-4-25(10-8-19)13-5-6-15(21-11-13)24-17-20-9-7-14(23-17)16-12(2)22-18(26-3)27-16/h5-7,9,11H,4,8,10,19H2,1-3H3,(H,20,21,23,24)
InChIKeySLNYHXZWHMHTJF-UHFFFAOYSA-N
MW401.57 g/mol
LogP3.55
Rot. Bonds8

About 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine

5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine (PubChem CID 155104867) has the molecular formula C18H23N7S2 and a molecular weight of 401.57 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
PubChem CID155104867
Molecular FormulaC18H23N7S2
Molecular Weight401.57 g/mol
Exact Mass401.15
IUPAC Name5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
SMILESCCN(CCN)c1ccc(Nc2nccc(-c3sc(SC)nc3C)n2)nc1
InChIInChI=1S/C18H23N7S2/c1-4-25(10-8-19)13-5-6-15(21-11-13)24-17-20-9-7-14(23-17)16-12(2)22-18(26-3)27-16/h5-7,9,11H,4,8,10,19H2,1-3H3,(H,20,21,23,24)
InChIKeySLNYHXZWHMHTJF-UHFFFAOYSA-N
XLogP3.55
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine (CID 155104867) is 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine is CCN(CCN)c1ccc(Nc2nccc(-c3sc(SC)nc3C)n2)nc1.
What is the InChIKey of 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
The InChIKey is SLNYHXZWHMHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S2/c1-4-25(10-8-19)13-5-6-15(21-11-13)24-17-20-9-7-14(23-17)16-12(2)22-18(26-3)27-16/h5-7,9,11H,4,8,10,19H2,1-3H3,(H,20,21,23,24).
What are the key properties of 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine?
5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine has a molecular weight of 401.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 155104867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).