2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C14H21F3N4 — CID 80829873

IUPAC2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-12-8-13(20-10(2)19-12)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyXHFQFMSJCDERCD-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.39
Rot. Bonds4

About 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80829873) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80829873
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-12-8-13(20-10(2)19-12)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyXHFQFMSJCDERCD-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80829873) is 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1.
What is the InChIKey of 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is XHFQFMSJCDERCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-6-18-12-8-13(20-10(2)19-12)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80829873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).