5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine

C16H19F3N4 — CID 139458562

IUPAC5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine
SMILESCC(C)c1cnc(C(C)CCc2cnc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C16H19F3N4/c1-10(2)13-8-20-14(21-9-13)11(3)4-5-12-6-22-15(23-7-12)16(17,18)19/h6-11H,4-5H2,1-3H3
InChIKeyNHEHAUWAZNATCQ-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.15
Rot. Bonds5

About 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine

5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine (PubChem CID 139458562) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine
PubChem CID139458562
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine
SMILESCC(C)c1cnc(C(C)CCc2cnc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C16H19F3N4/c1-10(2)13-8-20-14(21-9-13)11(3)4-5-12-6-22-15(23-7-12)16(17,18)19/h6-11H,4-5H2,1-3H3
InChIKeyNHEHAUWAZNATCQ-UHFFFAOYSA-N
XLogP4.15
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine?
The IUPAC name of 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine (CID 139458562) is 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine?
The canonical SMILES for 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine is CC(C)c1cnc(C(C)CCc2cnc(C(F)(F)F)nc2)nc1.
What is the InChIKey of 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine?
The InChIKey is NHEHAUWAZNATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-10(2)13-8-20-14(21-9-13)11(3)4-5-12-6-22-15(23-7-12)16(17,18)19/h6-11H,4-5H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine?
5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine has a molecular weight of 324.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]butan-2-yl]pyrimidine is sourced from PubChem (CID 139458562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).