2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C14H14F3N5O — CID 48931655

IUPAC2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C14H14F3N5O/c1-9-6-11(19-7-12(23)20-8-14(15,16)17)22-13(21-9)10-2-4-18-5-3-10/h2-6H,7-8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyFBBDRAIFXVJDSN-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 48931655) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID48931655
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C14H14F3N5O/c1-9-6-11(19-7-12(23)20-8-14(15,16)17)22-13(21-9)10-2-4-18-5-3-10/h2-6H,7-8H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyFBBDRAIFXVJDSN-UHFFFAOYSA-N
XLogP1.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 48931655) is 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(NCC(=O)NCC(F)(F)F)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FBBDRAIFXVJDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-9-6-11(19-7-12(23)20-8-14(15,16)17)22-13(21-9)10-2-4-18-5-3-10/h2-6H,7-8H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 325.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 48931655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).