4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H14F3N5 — CID 106772722

IUPAC4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)9-15-7(14)6-8(16-9)17-18-4-2-1-3-5-18/h6H,1-5H2,(H3,14,15,16,17)
InChIKeyWCZCTJQMBIFDQT-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.89
Rot. Bonds2

About 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772722) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772722
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)9-15-7(14)6-8(16-9)17-18-4-2-1-3-5-18/h6H,1-5H2,(H3,14,15,16,17)
InChIKeyWCZCTJQMBIFDQT-UHFFFAOYSA-N
XLogP1.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772722) is 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(NN2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is WCZCTJQMBIFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)9-15-7(14)6-8(16-9)17-18-4-2-1-3-5-18/h6H,1-5H2,(H3,14,15,16,17).
What are the key properties of 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 261.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).