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

C23H23N3S — CID 91964785

IUPAC2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(C)ccc3C)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C23H23N3S/c1-4-18-14-19-22(24-20-12-15(2)10-11-16(20)3)25-21(26-23(19)27-18)13-17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,25,26)
InChIKeyMHFHKENEUAPPRA-UHFFFAOYSA-N
MW373.53 g/mol
LogP6.20
Rot. Bonds5

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

2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964785) has the molecular formula C23H23N3S and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964785
Molecular FormulaC23H23N3S
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Name2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(C)ccc3C)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C23H23N3S/c1-4-18-14-19-22(24-20-12-15(2)10-11-16(20)3)25-21(26-23(19)27-18)13-17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,25,26)
InChIKeyMHFHKENEUAPPRA-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(3-chloro-2-methylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964774
2-benzyl-N-(2,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964768
2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964637
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
2-benzyl-6-ethyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964750
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615804
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 93214037
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 91964785) is 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3cc(C)ccc3C)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MHFHKENEUAPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3S/c1-4-18-14-19-22(24-20-12-15(2)10-11-16(20)3)25-21(26-23(19)27-18)13-17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,25,26).
What are the key properties of 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 373.53 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).