7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C16H17N3S — CID 102686398

IUPAC7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1
InChIInChI=1S/C16H17N3S/c1-10-4-6-13(7-5-10)12(3)19-16-15-14(17-9-18-16)11(2)8-20-15/h4-9,12H,1-3H3,(H,17,18,19)
InChIKeyWTDKJJMDQBSKAL-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.48
Rot. Bonds3

About 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686398) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID102686398
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1
InChIInChI=1S/C16H17N3S/c1-10-4-6-13(7-5-10)12(3)19-16-15-14(17-9-18-16)11(2)8-20-15/h4-9,12H,1-3H3,(H,17,18,19)
InChIKeyWTDKJJMDQBSKAL-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686965
N-[1-(4-fluorophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686383
N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686565
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686571
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 102686398) is 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is Cc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1.
What is the InChIKey of 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WTDKJJMDQBSKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-4-6-13(7-5-10)12(3)19-16-15-14(17-9-18-16)11(2)8-20-15/h4-9,12H,1-3H3,(H,17,18,19).
What are the key properties of 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).