N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

C14H12ClN3OS — CID 16731202

IUPACN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1c(Cl)cccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyKIOPOKHFFYWPGJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.41
Rot. Bonds3

About N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16731202) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16731202
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1c(Cl)cccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyKIOPOKHFFYWPGJ-UHFFFAOYSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methoxyphenyl)-5-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-(2,5-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2508929
N-(2,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2519505
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450
N-(4-methoxyphenyl)-N,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 44583642
N-(5-chloro-2-methoxyphenyl)-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazine-1-carboxamide
CID 72194951
N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3314351
[5-(4-Fluorophenyl)thiopheno[3,2-e]pyrimidin-4-yl](2-methoxyphenyl)amine
CID 1194680
N-(5-chloro-2-methoxyphenyl)-6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-4-amine
CID 4249830
EGFR/ErbB-2 inhibitor-1
CID 44571453
N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 118734213
N-(4-fluoro-2-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 155542746

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 16731202) is N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is COc1c(Cl)cccc1Nc1ncnc2scc(C)c12.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KIOPOKHFFYWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16731202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).