N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H14F3N5 — CID 3234286

IUPACN-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1
InChIInChI=1S/C17H14F3N5/c1-11-7-22-12(8-21-11)9-23-16-6-15(24-10-25-16)13-4-2-3-5-14(13)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,24,25)
InChIKeyCFXCNRRSZHHKDK-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.87
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3234286) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3234286
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1
InChIInChI=1S/C17H14F3N5/c1-11-7-22-12(8-21-11)9-23-16-6-15(24-10-25-16)13-4-2-3-5-14(13)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,24,25)
InChIKeyCFXCNRRSZHHKDK-UHFFFAOYSA-N
XLogP3.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3234286) is N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CFXCNRRSZHHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-11-7-22-12(8-21-11)9-23-16-6-15(24-10-25-16)13-4-2-3-5-14(13)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,24,25).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 345.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3234286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).