3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide

C19H32N6OS — CID 16904601

About 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide

3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide (PubChem CID 16904601) has the molecular formula C19H32N6OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide
• PubChem CID: 16904601
• Molecular Formula: C19H32N6OS
• Molecular Weight: 392.57 g/mol
• Exact Mass: 392.24
• IUPAC Name: 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide
• SMILES: CC(C)CNc1nc(SC(C)C)nc2c1cnn2CCNC(=O)CC(C)C
• InChI: InChI=1S/C19H32N6OS/c1-12(2)9-16(26)20-7-8-25-18-15(11-22-25)17(21-10-13(3)4)23-19(24-18)27-14(5)6/h11-14H,7-10H2,1-6H3,(H,20,26)(H,21,23,24)
• InChIKey: LZBVSXMKCCYGSM-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.57
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide?

The IUPAC name of 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide (CID 16904601) is 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide.

What is the SMILES notation for 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide?

The canonical SMILES for 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide is CC(C)CNc1nc(SC(C)C)nc2c1cnn2CCNC(=O)CC(C)C.

What is the InChIKey of 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide?

The InChIKey is LZBVSXMKCCYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6OS/c1-12(2)9-16(26)20-7-8-25-18-15(11-22-25)17(21-10-13(3)4)23-19(24-18)27-14(5)6/h11-14H,7-10H2,1-6H3,(H,20,26)(H,21,23,24).

What are the key properties of 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide?

3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide has a molecular weight of 392.57 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 16904601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).