4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C15H10F4N4 — CID 141441816

IUPAC4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1ccn(Cc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)c1
InChIInChI=1S/C15H10F4N4/c16-11-3-4-23(7-11)8-12-5-13(22-9-21-12)10-1-2-14(20-6-10)15(17,18)19/h1-7,9H,8H2
InChIKeyAAWHBKKVEMVBKJ-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.55
Rot. Bonds3

About 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 141441816) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID141441816
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1ccn(Cc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)c1
InChIInChI=1S/C15H10F4N4/c16-11-3-4-23(7-11)8-12-5-13(22-9-21-12)10-1-2-14(20-6-10)15(17,18)19/h1-7,9H,8H2
InChIKeyAAWHBKKVEMVBKJ-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 141441816) is 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is Fc1ccn(Cc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)c1.
What is the InChIKey of 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is AAWHBKKVEMVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-11-3-4-23(7-11)8-12-5-13(22-9-21-12)10-1-2-14(20-6-10)15(17,18)19/h1-7,9H,8H2.
What are the key properties of 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 322.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropyrrol-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 141441816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).