N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine

C16H14FN3S — CID 133311493

IUPACN-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1C1(CNc2ncnc3sccc23)CC1
InChIInChI=1S/C16H14FN3S/c17-13-4-2-1-3-12(13)16(6-7-16)9-18-14-11-5-8-21-15(11)20-10-19-14/h1-5,8,10H,6-7,9H2,(H,18,19,20)
InChIKeyQGEQFFLKMLESLN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.97
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133311493) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133311493
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1C1(CNc2ncnc3sccc23)CC1
InChIInChI=1S/C16H14FN3S/c17-13-4-2-1-3-12(13)16(6-7-16)9-18-14-11-5-8-21-15(11)20-10-19-14/h1-5,8,10H,6-7,9H2,(H,18,19,20)
InChIKeyQGEQFFLKMLESLN-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133311493) is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1C1(CNc2ncnc3sccc23)CC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QGEQFFLKMLESLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c17-13-4-2-1-3-12(13)16(6-7-16)9-18-14-11-5-8-21-15(11)20-10-19-14/h1-5,8,10H,6-7,9H2,(H,18,19,20).
What are the key properties of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133311493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).