N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide

C16H15F3N4O2 — CID 90545034

IUPACN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-5-3-11(4-6-12)15(24)22-13-9-14(21-10-20-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,20,21,22,24)
InChIKeyNFPVBOQFNOLGFJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.23
Rot. Bonds4

About N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide

N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 90545034) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
PubChem CID90545034
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-5-3-11(4-6-12)15(24)22-13-9-14(21-10-20-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,20,21,22,24)
InChIKeyNFPVBOQFNOLGFJ-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 90545107
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide (CID 90545034) is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide is O=C(Nc1cc(N2CCCC2)ncn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is NFPVBOQFNOLGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-5-3-11(4-6-12)15(24)22-13-9-14(21-10-20-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,20,21,22,24).
What are the key properties of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide?
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 352.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).