6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C18H21F3N10 — CID 143753722

About 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 143753722) has the molecular formula C18H21F3N10 and a molecular weight of 434.43 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 143753722
• Molecular Formula: C18H21F3N10
• Molecular Weight: 434.43 g/mol
• Exact Mass: 434.19
• IUPAC Name: 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCC(F)(F)CC3)n2)n[nH]1
• InChI: InChI=1S/C18H21F3N10/c1-10-7-13(30-29-10)25-16-26-15(24-11(2)14-22-8-12(19)9-23-14)27-17(28-16)31-5-3-18(20,21)4-6-31/h7-9,11H,3-6H2,1-2H3,(H3,24,25,26,27,28,29,30)/t11-/m0/s1
• InChIKey: IQHBKTSAZYJVBA-NSHDSACASA-N
• XLogP: 2.98
• TPSA: 120.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.43
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 143753722) is 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCC(F)(F)CC3)n2)n[nH]1.

What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is IQHBKTSAZYJVBA-NSHDSACASA-N. The full InChI is InChI=1S/C18H21F3N10/c1-10-7-13(30-29-10)25-16-26-15(24-11(2)14-22-8-12(19)9-23-14)27-17(28-16)31-5-3-18(20,21)4-6-31/h7-9,11H,3-6H2,1-2H3,(H3,24,25,26,27,28,29,30)/t11-/m0/s1.

What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 434.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143753722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).