6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

C10H14F3N5 — CID 80847162

IUPAC6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)6-2-1-3-18(5-6)8-4-7(14)16-9(15)17-8/h4,6H,1-3,5H2,(H4,14,15,16,17)
InChIKeyDRTUWHJZSZZWNA-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.42
Rot. Bonds1

About 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 80847162) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID80847162
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)6-2-1-3-18(5-6)8-4-7(14)16-9(15)17-8/h4,6H,1-3,5H2,(H4,14,15,16,17)
InChIKeyDRTUWHJZSZZWNA-UHFFFAOYSA-N
XLogP1.42
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (CID 80847162) is 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is Nc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is DRTUWHJZSZZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)6-2-1-3-18(5-6)8-4-7(14)16-9(15)17-8/h4,6H,1-3,5H2,(H4,14,15,16,17).
What are the key properties of 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 261.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80847162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).