2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C16H18F3N5 — CID 86342166

IUPAC2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCNC2)n1
InChIInChI=1S/C16H18F3N5/c1-10-22-13(11-3-2-5-20-9-11)8-15(23-10)24-14-7-12(4-6-21-14)16(17,18)19/h4,6-8,11,20H,2-3,5,9H2,1H3,(H,21,22,23,24)
InChIKeySOEURGICWVACEJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 86342166) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID86342166
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCNC2)n1
InChIInChI=1S/C16H18F3N5/c1-10-22-13(11-3-2-5-20-9-11)8-15(23-10)24-14-7-12(4-6-21-14)16(17,18)19/h4,6-8,11,20H,2-3,5,9H2,1H3,(H,21,22,23,24)
InChIKeySOEURGICWVACEJ-UHFFFAOYSA-N
XLogP3.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 86342166) is 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCCNC2)n1.
What is the InChIKey of 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is SOEURGICWVACEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-10-22-13(11-3-2-5-20-9-11)8-15(23-10)24-14-7-12(4-6-21-14)16(17,18)19/h4,6-8,11,20H,2-3,5,9H2,1H3,(H,21,22,23,24).
What are the key properties of 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 337.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 86342166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).