6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

C19H18FN5S — CID 18460389

IUPAC6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-n3ccnc3C)nc2s1
InChIInChI=1S/C19H18FN5S/c1-3-15-10-16-17(22-11-13-4-6-14(20)7-5-13)23-19(24-18(16)26-15)25-9-8-21-12(25)2/h4-10H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyNNBYMHOMCKUOEU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.50
Rot. Bonds5

About 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460389) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460389
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-n3ccnc3C)nc2s1
InChIInChI=1S/C19H18FN5S/c1-3-15-10-16-17(22-11-13-4-6-14(20)7-5-13)23-19(24-18(16)26-15)25-9-8-21-12(25)2/h4-10H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyNNBYMHOMCKUOEU-UHFFFAOYSA-N
XLogP4.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

ethyl 1-[6-ethyl-4-[(4-fluorophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 23289765
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
4-[6-ethyl-4-[(4-fluorophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]-2-oxobutanal
CID 174519808
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460206
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
N-[(3,4-dichlorophenyl)methyl]-2-(2-methylimidazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18460405
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18459928
6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460389) is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccc(F)cc3)nc(-n3ccnc3C)nc2s1.
What is the InChIKey of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NNBYMHOMCKUOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-3-15-10-16-17(22-11-13-4-6-14(20)7-5-13)23-19(24-18(16)26-15)25-9-8-21-12(25)2/h4-10H,3,11H2,1-2H3,(H,22,23,24).
What are the key properties of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).