N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C15H13F2N3S — CID 133407621

IUPACN-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccc(F)c(F)c3)ncnc2s1
InChIInChI=1S/C15H13F2N3S/c1-8-5-11-14(18-7-19-15(11)21-8)20-9(2)10-3-4-12(16)13(17)6-10/h3-7,9H,1-2H3,(H,18,19,20)
InChIKeyLOPDLTDKUMSYAP-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.45
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133407621) has the molecular formula C15H13F2N3S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133407621
Molecular FormulaC15H13F2N3S
Molecular Weight305.35 g/mol
Exact Mass305.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccc(F)c(F)c3)ncnc2s1
InChIInChI=1S/C15H13F2N3S/c1-8-5-11-14(18-7-19-15(11)21-8)20-9(2)10-3-4-12(16)13(17)6-10/h3-7,9H,1-2H3,(H,18,19,20)
InChIKeyLOPDLTDKUMSYAP-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[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

N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618764
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine
CID 63760564
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65029549
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
1-(4-methylphenyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133409400
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 133407621) is N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC(C)c3ccc(F)c(F)c3)ncnc2s1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LOPDLTDKUMSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3S/c1-8-5-11-14(18-7-19-15(11)21-8)20-9(2)10-3-4-12(16)13(17)6-10/h3-7,9H,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133407621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).