5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

C24H25N3OS — CID 21012287

IUPAC5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2csc3ncnc(Nc4ccc(OCC(C)C)cc4)c23)cc1
InChIInChI=1S/C24H25N3OS/c1-4-17-5-7-18(8-6-17)21-14-29-24-22(21)23(25-15-26-24)27-19-9-11-20(12-10-19)28-13-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,25,26,27)
InChIKeyIWJOJHYBSARDKU-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.70
Rot. Bonds7

About 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21012287) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID21012287
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2csc3ncnc(Nc4ccc(OCC(C)C)cc4)c23)cc1
InChIInChI=1S/C24H25N3OS/c1-4-17-5-7-18(8-6-17)21-14-29-24-22(21)23(25-15-26-24)27-19-9-11-20(12-10-19)28-13-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,25,26,27)
InChIKeyIWJOJHYBSARDKU-UHFFFAOYSA-N
XLogP6.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylphenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012212
5-(3,4-dimethylphenyl)-N-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635985
5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012536
N-(4-butoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635936
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559
5-(4-chlorophenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012220
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635991
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2401377
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
methyl 2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21011004
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 21012287) is 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(-c2csc3ncnc(Nc4ccc(OCC(C)C)cc4)c23)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IWJOJHYBSARDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-4-17-5-7-18(8-6-17)21-14-29-24-22(21)23(25-15-26-24)27-19-9-11-20(12-10-19)28-13-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,25,26,27).
What are the key properties of 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 403.55 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).