N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C12H14F3N5S — CID 103333103

IUPACN-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(CC(F)(F)F)C3CC3)nc(NN)nc2s1
InChIInChI=1S/C12H14F3N5S/c1-6-4-8-9(17-11(19-16)18-10(8)21-6)20(7-2-3-7)5-12(13,14)15/h4,7H,2-3,5,16H2,1H3,(H,17,18,19)
InChIKeyLSYMHEQFVWNGPW-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.82
Rot. Bonds4

About N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333103) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103333103
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC NameN-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(CC(F)(F)F)C3CC3)nc(NN)nc2s1
InChIInChI=1S/C12H14F3N5S/c1-6-4-8-9(17-11(19-16)18-10(8)21-6)20(7-2-3-7)5-12(13,14)15/h4,7H,2-3,5,16H2,1H3,(H,17,18,19)
InChIKeyLSYMHEQFVWNGPW-UHFFFAOYSA-N
XLogP2.82
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103333103) is N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(CC(F)(F)F)C3CC3)nc(NN)nc2s1.
What is the InChIKey of N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSYMHEQFVWNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-6-4-8-9(17-11(19-16)18-10(8)21-6)20(7-2-3-7)5-12(13,14)15/h4,7H,2-3,5,16H2,1H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).