2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide

C16H22F3N7O — CID 69082929

IUPAC2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide
SMILESCCNc1nc(Nc2cnn(C(C)(C)C(=O)NC)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H22F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(25-12)24-11-8-23-26(9(11)2)15(3,4)13(27)20-5/h7-8H,6H2,1-5H3,(H,20,27)(H2,21,22,24,25)
InChIKeyJOGFTGFXYFZCEZ-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.66
Rot. Bonds6

About 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide

2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide (PubChem CID 69082929) has the molecular formula C16H22F3N7O and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide
PubChem CID69082929
Molecular FormulaC16H22F3N7O
Molecular Weight385.39 g/mol
Exact Mass385.18
IUPAC Name2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide
SMILESCCNc1nc(Nc2cnn(C(C)(C)C(=O)NC)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H22F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(25-12)24-11-8-23-26(9(11)2)15(3,4)13(27)20-5/h7-8H,6H2,1-5H3,(H,20,27)(H2,21,22,24,25)
InChIKeyJOGFTGFXYFZCEZ-UHFFFAOYSA-N
XLogP2.66
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide (CID 69082929) is 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide is CCNc1nc(Nc2cnn(C(C)(C)C(=O)NC)c2C)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The InChIKey is JOGFTGFXYFZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(25-12)24-11-8-23-26(9(11)2)15(3,4)13(27)20-5/h7-8H,6H2,1-5H3,(H,20,27)(H2,21,22,24,25).
What are the key properties of 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide has a molecular weight of 385.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 69082929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).