6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride

C16H25Cl2N5S — CID 154902395

About 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154902395) has the molecular formula C16H25Cl2N5S and a molecular weight of 390.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

• Compound Name: 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
• PubChem CID: 154902395
• Molecular Formula: C16H25Cl2N5S
• Molecular Weight: 390.38 g/mol
• Exact Mass: 389.12
• IUPAC Name: 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
• SMILES: CC(C)c1csc(CCNc2cc(C3CC(N)C3)ncn2)n1.Cl.Cl
• InChI: InChI=1S/C16H23N5S.2ClH/c1-10(2)14-8-22-16(21-14)3-4-18-15-7-13(19-9-20-15)11-5-12(17)6-11;;/h7-12H,3-6,17H2,1-2H3,(H,18,19,20);2*1H
• InChIKey: ODSVDUACPFLGCB-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 76.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.38
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride?

The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride (CID 154902395) is 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride.

What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride?

The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride is CC(C)c1csc(CCNc2cc(C3CC(N)C3)ncn2)n1.Cl.Cl.

What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride?

The InChIKey is ODSVDUACPFLGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S.2ClH/c1-10(2)14-8-22-16(21-14)3-4-18-15-7-13(19-9-20-15)11-5-12(17)6-11;;/h7-12H,3-6,17H2,1-2H3,(H,18,19,20);2*1H.

What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride?

6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 390.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminocyclobutyl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).