4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine

C17H20F3N5O — CID 146088403

IUPAC4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc(N)n1
InChIInChI=1S/C17H20F3N5O/c1-12-10-15(23-16(21)22-12)25-8-6-24(7-9-25)11-13-2-4-14(5-3-13)26-17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H2,21,22,23)
InChIKeyDTSWUORQRBZBNH-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.59
Rot. Bonds4

About 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 146088403) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID146088403
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc(N)n1
InChIInChI=1S/C17H20F3N5O/c1-12-10-15(23-16(21)22-12)25-8-6-24(7-9-25)11-13-2-4-14(5-3-13)26-17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H2,21,22,23)
InChIKeyDTSWUORQRBZBNH-UHFFFAOYSA-N
XLogP2.59
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine (CID 146088403) is 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is DTSWUORQRBZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-12-10-15(23-16(21)22-12)25-8-6-24(7-9-25)11-13-2-4-14(5-3-13)26-17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H2,21,22,23).
What are the key properties of 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 367.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 146088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).