2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C17H18ClN3O2S — CID 18460510

IUPAC2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(OC)c(OC)c3)nc(Cl)nc2s1
InChIInChI=1S/C17H18ClN3O2S/c1-4-11-8-12-15(20-17(18)21-16(12)24-11)19-9-10-5-6-13(22-2)14(7-10)23-3/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyWSTFUKGFAWFLQC-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.54
Rot. Bonds6

About 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460510) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18460510
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(OC)c(OC)c3)nc(Cl)nc2s1
InChIInChI=1S/C17H18ClN3O2S/c1-4-11-8-12-15(20-17(18)21-16(12)24-11)19-9-10-5-6-13(22-2)14(7-10)23-3/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyWSTFUKGFAWFLQC-UHFFFAOYSA-N
XLogP4.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18459928
2-chloro-6-ethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18460434
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
2-chloro-6-ethyl-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322136
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 161065061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 18460510) is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccc(OC)c(OC)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WSTFUKGFAWFLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-4-11-8-12-15(20-17(18)21-16(12)24-11)19-9-10-5-6-13(22-2)14(7-10)23-3/h5-8H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 363.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).