5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C12H11F3N4 — CID 155798386

IUPAC5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCc1ccncc1-c1cnc(NCC(F)(F)F)nc1
InChIInChI=1S/C12H11F3N4/c1-8-2-3-16-6-10(8)9-4-17-11(18-5-9)19-7-12(13,14)15/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyDSQDQDIOZMLDID-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.82
Rot. Bonds3

About 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 155798386) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID155798386
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCc1ccncc1-c1cnc(NCC(F)(F)F)nc1
InChIInChI=1S/C12H11F3N4/c1-8-2-3-16-6-10(8)9-4-17-11(18-5-9)19-7-12(13,14)15/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyDSQDQDIOZMLDID-UHFFFAOYSA-N
XLogP2.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 155798386) is 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is Cc1ccncc1-c1cnc(NCC(F)(F)F)nc1.
What is the InChIKey of 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is DSQDQDIOZMLDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-8-2-3-16-6-10(8)9-4-17-11(18-5-9)19-7-12(13,14)15/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 155798386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).