6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride

C14H19ClN8S — CID 154901868

About 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride

6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 154901868) has the molecular formula C14H19ClN8S and a molecular weight of 366.88 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

• Compound Name: 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
• PubChem CID: 154901868
• Molecular Formula: C14H19ClN8S
• Molecular Weight: 366.88 g/mol
• Exact Mass: 366.11
• IUPAC Name: 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
• SMILES: Cc1nn2cc(CNc3cc(C4CC(N)C4)nc(N)n3)nc2s1.Cl
• InChI: InChI=1S/C14H18N8S.ClH/c1-7-21-22-6-10(18-14(22)23-7)5-17-12-4-11(19-13(16)20-12)8-2-9(15)3-8;/h4,6,8-9H,2-3,5,15H2,1H3,(H3,16,17,19,20);1H
• InChIKey: GYAQDJKKICAFHW-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 120.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.88
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?

The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride (CID 154901868) is 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride.

What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?

The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride is Cc1nn2cc(CNc3cc(C4CC(N)C4)nc(N)n3)nc2s1.Cl.

What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?

The InChIKey is GYAQDJKKICAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8S.ClH/c1-7-21-22-6-10(18-14(22)23-7)5-17-12-4-11(19-13(16)20-12)8-2-9(15)3-8;/h4,6,8-9H,2-3,5,15H2,1H3,(H3,16,17,19,20);1H.

What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?

6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 366.88 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 154901868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).