6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride

C13H20Cl2N6S — CID 154902159

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902159) has the molecular formula C13H20Cl2N6S and a molecular weight of 363.32 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

• Compound Name: 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
• PubChem CID: 154902159
• Molecular Formula: C13H20Cl2N6S
• Molecular Weight: 363.32 g/mol
• Exact Mass: 362.08
• IUPAC Name: 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
• SMILES: CN(Cc1nccs1)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
• InChI: InChI=1S/C13H18N6S.2ClH/c1-19(7-12-16-2-3-20-12)11-6-10(17-13(15)18-11)8-4-9(14)5-8;;/h2-3,6,8-9H,4-5,7,14H2,1H3,(H2,15,17,18);2*1H
• InChIKey: UQBLVBWCFXXEHL-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 93.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.32
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?

The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride (CID 154902159) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride.

What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?

The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride is CN(Cc1nccs1)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl.

What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?

The InChIKey is UQBLVBWCFXXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S.2ClH/c1-19(7-12-16-2-3-20-12)11-6-10(17-13(15)18-11)8-4-9(14)5-8;;/h2-3,6,8-9H,4-5,7,14H2,1H3,(H2,15,17,18);2*1H.

What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 363.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).