6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C18H21F3N4O — CID 109355298

IUPAC6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)16-11-15(22-12-23-16)17(26)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyJUTYPRAARJSNMG-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.37
Rot. Bonds7

About 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109355298) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109355298
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)16-11-15(22-12-23-16)17(26)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyJUTYPRAARJSNMG-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109355298) is 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is JUTYPRAARJSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)16-11-15(22-12-23-16)17(26)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,26).
What are the key properties of 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).