6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

C21H24N6OS — CID 71274109

About 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 71274109) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
• PubChem CID: 71274109
• Molecular Formula: C21H24N6OS
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.17
• IUPAC Name: 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
• SMILES: Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(C3CC3)cn2)n1
• InChI: InChI=1S/C21H24N6OS/c1-12-24-19(23-10-21-27-26-13(2)29-21)8-20(25-12)28-11-16-7-17(16)18-6-5-15(9-22-18)14-3-4-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3,(H,23,24,25)/t16-,17+/m1/s1
• InChIKey: YXYPFAJTRWPTLI-SJORKVTESA-N
• XLogP: 4.01
• TPSA: 85.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?

The IUPAC name of 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 71274109) is 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

What is the SMILES notation for 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?

The canonical SMILES for 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(C3CC3)cn2)n1.

What is the InChIKey of 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?

The InChIKey is YXYPFAJTRWPTLI-SJORKVTESA-N. The full InChI is InChI=1S/C21H24N6OS/c1-12-24-19(23-10-21-27-26-13(2)29-21)8-20(25-12)28-11-16-7-17(16)18-6-5-15(9-22-18)14-3-4-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3,(H,23,24,25)/t16-,17+/m1/s1.

What are the key properties of 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?

6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 408.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1S,2S)-2-(5-cyclopropyl-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 71274109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).