N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C17H15FN4S — CID 8982388

IUPACN-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NN=C4CCCC4)c23)cc1
InChIInChI=1S/C17H15FN4S/c18-12-7-5-11(6-8-12)14-9-23-17-15(14)16(19-10-20-17)22-21-13-3-1-2-4-13/h5-10H,1-4H2,(H,19,20,22)
InChIKeyCCMUVEBUNRKPID-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.84
Rot. Bonds3

About N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 8982388) has the molecular formula C17H15FN4S and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID8982388
Molecular FormulaC17H15FN4S
Molecular Weight326.40 g/mol
Exact Mass326.10
IUPAC NameN-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NN=C4CCCC4)c23)cc1
InChIInChI=1S/C17H15FN4S/c18-12-7-5-11(6-8-12)14-9-23-17-15(14)16(19-10-20-17)22-21-13-3-1-2-4-13/h5-10H,1-4H2,(H,19,20,22)
InChIKeyCCMUVEBUNRKPID-UHFFFAOYSA-N
XLogP4.84
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
dimethyl 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 21009153
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]arsonic acid
CID 112501307
N-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2123602
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 8982388) is N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2csc3ncnc(NN=C4CCCC4)c23)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CCMUVEBUNRKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4S/c18-12-7-5-11(6-8-12)14-9-23-17-15(14)16(19-10-20-17)22-21-13-3-1-2-4-13/h5-10H,1-4H2,(H,19,20,22).
What are the key properties of N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 8982388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).