N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C18H12F3N5S — CID 18459994

IUPACN-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C18H12F3N5S/c19-18(20,21)14-8-12-15(24-9-11-4-2-1-3-5-11)25-16(26-17(12)27-14)13-10-22-6-7-23-13/h1-8,10H,9H2,(H,24,25,26)
InChIKeyKZSSTOURSLWPNQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.78
Rot. Bonds4

About N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18459994) has the molecular formula C18H12F3N5S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18459994
Molecular FormulaC18H12F3N5S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC NameN-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C18H12F3N5S/c19-18(20,21)14-8-12-15(24-9-11-4-2-1-3-5-11)25-16(26-17(12)27-14)13-10-22-6-7-23-13/h1-8,10H,9H2,(H,24,25,26)
InChIKeyKZSSTOURSLWPNQ-UHFFFAOYSA-N
XLogP4.78
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18459994) is N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3cnccn3)nc2s1.
What is the InChIKey of N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KZSSTOURSLWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5S/c19-18(20,21)14-8-12-15(24-9-11-4-2-1-3-5-11)25-16(26-17(12)27-14)13-10-22-6-7-23-13/h1-8,10H,9H2,(H,24,25,26).
What are the key properties of N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18459994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).