N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C23H23N3OS — CID 21009720

IUPACN-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(C)c(C)c4)c23)cc1
InChIInChI=1S/C23H23N3OS/c1-5-27-19-10-7-17(8-11-19)20-16(4)28-23-21(20)22(24-13-25-23)26-18-9-6-14(2)15(3)12-18/h6-13H,5H2,1-4H3,(H,24,25,26)
InChIKeyMCMUVGZRIVUEBZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.43
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009720) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009720
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(C)c(C)c4)c23)cc1
InChIInChI=1S/C23H23N3OS/c1-5-27-19-10-7-17(8-11-19)20-16(4)28-23-21(20)22(24-13-25-23)26-18-9-6-14(2)15(3)12-18/h6-13H,5H2,1-4H3,(H,24,25,26)
InChIKeyMCMUVGZRIVUEBZ-UHFFFAOYSA-N
XLogP6.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28505229
1-N-[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 21009360
5-(4-ethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010533
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28505195
N-(5-chloro-2-methoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011598
4-N-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28850735
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
propyl 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012598
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635991
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009720) is N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCOc1ccc(-c2c(C)sc3ncnc(Nc4ccc(C)c(C)c4)c23)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MCMUVGZRIVUEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-5-27-19-10-7-17(8-11-19)20-16(4)28-23-21(20)22(24-13-25-23)26-18-9-6-14(2)15(3)12-18/h6-13H,5H2,1-4H3,(H,24,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.52 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).