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

C13H20F3N5 — CID 80829195

IUPAC4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C13H20F3N5/c1-2-5-18-10-7-11(20-12(17)19-10)21-6-3-4-9(8-21)13(14,15)16/h7,9H,2-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyDKMPABPWILHAGE-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.66
Rot. Bonds4

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

4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 80829195) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID80829195
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C13H20F3N5/c1-2-5-18-10-7-11(20-12(17)19-10)21-6-3-4-9(8-21)13(14,15)16/h7,9H,2-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyDKMPABPWILHAGE-UHFFFAOYSA-N
XLogP2.66
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (CID 80829195) is 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is CCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is DKMPABPWILHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-2-5-18-10-7-11(20-12(17)19-10)21-6-3-4-9(8-21)13(14,15)16/h7,9H,2-6,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80829195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).