6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine

C20H24FN5S — CID 139987573

IUPAC6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1F
InChIInChI=1S/C20H24FN5S/c1-20(2,3)17-9-15-18(22-12-23-19(15)27-17)25-24-10-13-6-7-14(11-26(4)5)16(21)8-13/h6-10,12H,11H2,1-5H3,(H,22,23,25)
InChIKeyQKGSMNCYMWNGNH-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.64
Rot. Bonds5

About 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine

6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 139987573) has the molecular formula C20H24FN5S and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID139987573
Molecular FormulaC20H24FN5S
Molecular Weight385.51 g/mol
Exact Mass385.17
IUPAC Name6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1F
InChIInChI=1S/C20H24FN5S/c1-20(2,3)17-9-15-18(22-12-23-19(15)27-17)25-24-10-13-6-7-14(11-26(4)5)16(21)8-13/h6-10,12H,11H2,1-5H3,(H,22,23,25)
InChIKeyQKGSMNCYMWNGNH-UHFFFAOYSA-N
XLogP4.64
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

methyl 4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 46227453
methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 75178783
6-tert-butyl-N-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 75178763
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
[2-[4-[(2E)-2-[[4-[(dimethylamino)methyl]phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropyl] acetate
CID 142150558
N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
CID 75054373
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
6-tert-butyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987613
2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione
CID 139987720
6-tert-butyl-N-[[3-[2-(methylamino)ethoxy]-1,2-oxazol-5-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987682
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133314889
6-(1-fluoro-2-methylpropan-2-yl)-N-[(E)-[4-(methylaminomethyl)-1,3-thiazol-2-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 53493571

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 139987573) is 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1F.
What is the InChIKey of 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QKGSMNCYMWNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5S/c1-20(2,3)17-9-15-18(22-12-23-19(15)27-17)25-24-10-13-6-7-14(11-26(4)5)16(21)8-13/h6-10,12H,11H2,1-5H3,(H,22,23,25).
What are the key properties of 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 385.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139987573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).