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

C15H14ClN3OS — CID 95507132

IUPAC4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(OC)cc3)csc2n1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(16)12-11(8-21-14(12)19-15)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyYKFBZTKGNMSMSF-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.45
Rot. Bonds4

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

4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 95507132) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID95507132
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(OC)cc3)csc2n1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(16)12-11(8-21-14(12)19-15)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyYKFBZTKGNMSMSF-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-chloro-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 95507130
4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 95507140
2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82065833
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 95507149
2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 1038088
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
2-chloro-4-(4-methoxyphenyl)thiophen-3-amine
CID 114749329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine (CID 95507132) is 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Cl)c2c(-c3ccc(OC)cc3)csc2n1.
What is the InChIKey of 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YKFBZTKGNMSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(16)12-11(8-21-14(12)19-15)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95507132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).