N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H22FN4OS+ — CID 9212139

IUPACN-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C19H21FN4OS/c1-12-13(2)26-19-17(12)18(21-15-5-3-14(20)4-6-15)22-16(23-19)11-24-7-9-25-10-8-24/h3-6H,7-11H2,1-2H3,(H,21,22,23)/p+1
InChIKeyAEFCCLKZFGMAGL-UHFFFAOYSA-O
MW373.48 g/mol
LogP2.61
Rot. Bonds4

About N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9212139) has the molecular formula C19H22FN4OS+ and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9212139
Molecular FormulaC19H22FN4OS+
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C19H21FN4OS/c1-12-13(2)26-19-17(12)18(21-15-5-3-14(20)4-6-15)22-16(23-19)11-24-7-9-25-10-8-24/h3-6H,7-11H2,1-2H3,(H,21,22,23)/p+1
InChIKeyAEFCCLKZFGMAGL-UHFFFAOYSA-O
XLogP2.61
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 9332973
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2553400
N-[(3-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281609
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2460468
4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 2125585
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
4-[[5,6-dimethyl-4-[(2-nitro-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9111922
4-[[5,6-dimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9213192
methyl 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 9281009
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methylbenzenesulfonamide
CID 9318847

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 9212139) is N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc(F)cc3)c2c1C.
What is the InChIKey of N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AEFCCLKZFGMAGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN4OS/c1-12-13(2)26-19-17(12)18(21-15-5-3-14(20)4-6-15)22-16(23-19)11-24-7-9-25-10-8-24/h3-6H,7-11H2,1-2H3,(H,21,22,23)/p+1.
What are the key properties of N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 373.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9212139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).