5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

C11H8F4N4 — CID 102709103

IUPAC5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19)
InChIKeyCOCABHVMVRZRTQ-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.74
Rot. Bonds2

About 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 102709103) has the molecular formula C11H8F4N4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID102709103
Molecular FormulaC11H8F4N4
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19)
InChIKeyCOCABHVMVRZRTQ-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (CID 102709103) is 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is CNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is COCABHVMVRZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19).
What are the key properties of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 272.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 102709103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).