N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H9F3N6S — CID 72909743

IUPACN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2csc(-c3cnccn3)n2)n1
InChIInChI=1S/C13H9F3N6S/c14-13(15,16)10-1-2-19-12(22-10)20-5-8-7-23-11(21-8)9-6-17-3-4-18-9/h1-4,6-7H,5H2,(H,19,20,22)
InChIKeyKOVCRLFSTPNDNR-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.02
Rot. Bonds4

About N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72909743) has the molecular formula C13H9F3N6S and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72909743
Molecular FormulaC13H9F3N6S
Molecular Weight338.32 g/mol
Exact Mass338.06
IUPAC NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2csc(-c3cnccn3)n2)n1
InChIInChI=1S/C13H9F3N6S/c14-13(15,16)10-1-2-19-12(22-10)20-5-8-7-23-11(21-8)9-6-17-3-4-18-9/h1-4,6-7H,5H2,(H,19,20,22)
InChIKeyKOVCRLFSTPNDNR-UHFFFAOYSA-N
XLogP3.02
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 72909743) is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2csc(-c3cnccn3)n2)n1.
What is the InChIKey of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KOVCRLFSTPNDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6S/c14-13(15,16)10-1-2-19-12(22-10)20-5-8-7-23-11(21-8)9-6-17-3-4-18-9/h1-4,6-7H,5H2,(H,19,20,22).
What are the key properties of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72909743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).