4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

C14H14F3N5 — CID 125019200

IUPAC4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2nccc([C@H]3CCNC3)n2)c1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)10-2-5-19-12(7-10)22-13-20-6-3-11(21-13)9-1-4-18-8-9/h2-3,5-7,9,18H,1,4,8H2,(H,19,20,21,22)/t9-/m0/s1
InChIKeyXUGIPCGFGLNVBC-VIFPVBQESA-N
MW309.30 g/mol
LogP2.71
Rot. Bonds3

About 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 125019200) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID125019200
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC Name4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2nccc([C@H]3CCNC3)n2)c1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)10-2-5-19-12(7-10)22-13-20-6-3-11(21-13)9-1-4-18-8-9/h2-3,5-7,9,18H,1,4,8H2,(H,19,20,21,22)/t9-/m0/s1
InChIKeyXUGIPCGFGLNVBC-VIFPVBQESA-N
XLogP2.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
2-hydroxy-1-[3-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740118
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 124957141
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 110089639
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (CID 125019200) is 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2nccc([C@H]3CCNC3)n2)c1.
What is the InChIKey of 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is XUGIPCGFGLNVBC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N5/c15-14(16,17)10-2-5-19-12(7-10)22-13-20-6-3-11(21-13)9-1-4-18-8-9/h2-3,5-7,9,18H,1,4,8H2,(H,19,20,21,22)/t9-/m0/s1.
What are the key properties of 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 309.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 125019200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).