2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide

C17H24F3N7O — CID 69081779

IUPAC2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCNc1nc(Nc2cn(C(C)(C)C(=O)NC(C)C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H24F3N7O/c1-9(2)23-14(28)16(4,5)27-8-12(10(3)26-27)24-15-22-7-11(17(18,19)20)13(21-6)25-15/h7-9H,1-6H3,(H,23,28)(H2,21,22,24,25)
InChIKeyKYZGPONBRQRHNZ-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide

2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 69081779) has the molecular formula C17H24F3N7O and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID69081779
Molecular FormulaC17H24F3N7O
Molecular Weight399.42 g/mol
Exact Mass399.20
IUPAC Name2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCNc1nc(Nc2cn(C(C)(C)C(=O)NC(C)C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H24F3N7O/c1-9(2)23-14(28)16(4,5)27-8-12(10(3)26-27)24-15-22-7-11(17(18,19)20)13(21-6)25-15/h7-9H,1-6H3,(H,23,28)(H2,21,22,24,25)
InChIKeyKYZGPONBRQRHNZ-UHFFFAOYSA-N
XLogP3.05
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide (CID 69081779) is 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide is CNc1nc(Nc2cn(C(C)(C)C(=O)NC(C)C)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is KYZGPONBRQRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N7O/c1-9(2)23-14(28)16(4,5)27-8-12(10(3)26-27)24-15-22-7-11(17(18,19)20)13(21-6)25-15/h7-9H,1-6H3,(H,23,28)(H2,21,22,24,25).
What are the key properties of 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide?
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 399.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 69081779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).