5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine

C12H11F3N4 — CID 56866916

IUPAC5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)5-3-9-4-6-17-11(19-9)8-1-2-10(16)18-7-8/h1-2,4,6-7H,3,5H2,(H2,16,18)
InChIKeyFXOXNWHPKAIDMQ-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.62
Rot. Bonds3

About 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine

5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine (PubChem CID 56866916) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine
PubChem CID56866916
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)5-3-9-4-6-17-11(19-9)8-1-2-10(16)18-7-8/h1-2,4,6-7H,3,5H2,(H2,16,18)
InChIKeyFXOXNWHPKAIDMQ-UHFFFAOYSA-N
XLogP2.62
TPSA64.69 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56869841
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56868695
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79954394
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
CID 141113158
2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56878178
2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine
CID 166514077
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
CID 67508680
[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70983747
5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
CID 114721619
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
4-(6-amino-3-pyridinyl)pyrimidin-2-amine
CID 130204719

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine (CID 56866916) is 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine is Nc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1.
What is the InChIKey of 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is FXOXNWHPKAIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)5-3-9-4-6-17-11(19-9)8-1-2-10(16)18-7-8/h1-2,4,6-7H,3,5H2,(H2,16,18).
What are the key properties of 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine?
5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 56866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).