5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C21H18ClN3O2S — CID 46347959

IUPAC5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(OC)c1
InChIInChI=1S/C21H18ClN3O2S/c1-26-16-8-5-14(18(9-16)27-2)10-23-20-19-17(11-28-21(19)25-12-24-20)13-3-6-15(22)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)
InChIKeyRLDZNDKTERCSRX-UHFFFAOYSA-N
MW411.91 g/mol
LogP5.64
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46347959) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID46347959
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(OC)c1
InChIInChI=1S/C21H18ClN3O2S/c1-26-16-8-5-14(18(9-16)27-2)10-23-20-19-17(11-28-21(19)25-12-24-20)13-3-6-15(22)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)
InChIKeyRLDZNDKTERCSRX-UHFFFAOYSA-N
XLogP5.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347907
methyl 5-[[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-2-methoxybenzoate
CID 18282558
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide
CID 4885462
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 46347959) is 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(OC)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RLDZNDKTERCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-26-16-8-5-14(18(9-16)27-2)10-23-20-19-17(11-28-21(19)25-12-24-20)13-3-6-15(22)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 411.91 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46347959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).