N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

C17H16F3N3O2 — CID 3590115

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3
InChIKeySHUHKVBNSMSAPY-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.07
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (PubChem CID 3590115) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
PubChem CID3590115
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3
InChIKeySHUHKVBNSMSAPY-UHFFFAOYSA-N
XLogP4.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (CID 3590115) is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is Cc1cc(C)nc(N(C(=O)C2CC2)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is SHUHKVBNSMSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10-9-11(2)22-16(21-10)23(15(24)12-3-4-12)13-5-7-14(8-6-13)25-17(18,19)20/h5-9,12H,3-4H2,1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 351.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).