2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine

C32H32Cl2F3N9O2 — CID 158373710

About 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine

2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine (PubChem CID 158373710) has the molecular formula C32H32Cl2F3N9O2 and a molecular weight of 702.57 g/mol. Its IUPAC name is 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
• PubChem CID: 158373710
• Molecular Formula: C32H32Cl2F3N9O2
• Molecular Weight: 702.57 g/mol
• Exact Mass: 701.20
• IUPAC Name: 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
• SMILES: Cc1c(Cl)cccc1-c1cc(NCCO)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(C(F)(F)F)cn2)nc(N)n1
• InChI: InChI=1S/C19H17ClF3N5O.C13H15ClN4O/c1-11-13(3-2-4-14(11)20)15-9-16(28-18(24)27-15)25-7-8-29-17-6-5-12(10-26-17)19(21,22)23;1-8-9(3-2-4-10(8)14)11-7-12(16-5-6-19)18-13(15)17-11/h2-6,9-10H,7-8H2,1H3,(H3,24,25,27,28);2-4,7,19H,5-6H2,1H3,(H3,15,16,17,18)
• InChIKey: GUXZAIAAJKBAPW-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 170.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	702.57
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine (CID 158373710) is 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(NCCO)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(C(F)(F)F)cn2)nc(N)n1.

What is the InChIKey of 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine?

The InChIKey is GUXZAIAAJKBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O.C13H15ClN4O/c1-11-13(3-2-4-14(11)20)15-9-16(28-18(24)27-15)25-7-8-29-17-6-5-12(10-26-17)19(21,22)23;1-8-9(3-2-4-10(8)14)11-7-12(16-5-6-19)18-13(15)17-11/h2-6,9-10H,7-8H2,1H3,(H3,24,25,27,28);2-4,7,19H,5-6H2,1H3,(H3,15,16,17,18).

What are the key properties of 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine?

2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine has a molecular weight of 702.57 g/mol, XLogP of 6.68, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethanol;6-(3-chloro-2-methylphenyl)-4-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158373710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).