benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C17H16F3N3S — CID 166120001

IUPACbenzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CC3)nc(C(F)(F)F)nc2s1.c1ccccc1
InChIInChI=1S/C11H10F3N3S.C6H6/c1-5-4-7-8(15-6-2-3-6)16-10(11(12,13)14)17-9(7)18-5;1-2-4-6-5-3-1/h4,6H,2-3H2,1H3,(H,15,16,17);1-6H
InChIKeyGZZCZTZYYIHBAI-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.28
Rot. Bonds2

About benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 166120001) has the molecular formula C17H16F3N3S and a molecular weight of 351.40 g/mol. Its IUPAC name is benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Namebenzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID166120001
Molecular FormulaC17H16F3N3S
Molecular Weight351.40 g/mol
Exact Mass351.10
IUPAC Namebenzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CC3)nc(C(F)(F)F)nc2s1.c1ccccc1
InChIInChI=1S/C11H10F3N3S.C6H6/c1-5-4-7-8(15-6-2-3-6)16-10(11(12,13)14)17-9(7)18-5;1-2-4-6-5-3-1/h4,6H,2-3H2,1H3,(H,15,16,17);1-6H
InChIKeyGZZCZTZYYIHBAI-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 166120001) is benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CC3)nc(C(F)(F)F)nc2s1.c1ccccc1.
What is the InChIKey of benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GZZCZTZYYIHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S.C6H6/c1-5-4-7-8(15-6-2-3-6)16-10(11(12,13)14)17-9(7)18-5;1-2-4-6-5-3-1/h4,6H,2-3H2,1H3,(H,15,16,17);1-6H.
What are the key properties of benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 351.40 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166120001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).