N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C16H17N3S — CID 46879491

IUPACN-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc(C)c1CNc1ncnc2c(C)csc12
InChIInChI=1S/C16H17N3S/c1-10-5-4-6-11(2)13(10)7-17-16-15-14(18-9-19-16)12(3)8-20-15/h4-6,8-9H,7H2,1-3H3,(H,17,18,19)
InChIKeyHMRWYYSBODTUGR-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.23
Rot. Bonds3

About N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 46879491) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID46879491
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc(C)c1CNc1ncnc2c(C)csc12
InChIInChI=1S/C16H17N3S/c1-10-5-4-6-11(2)13(10)7-17-16-15-14(18-9-19-16)12(3)8-20-15/h4-6,8-9H,7H2,1-3H3,(H,17,18,19)
InChIKeyHMRWYYSBODTUGR-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 46879491) is N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1cccc(C)c1CNc1ncnc2c(C)csc12.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HMRWYYSBODTUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-5-4-6-11(2)13(10)7-17-16-15-14(18-9-19-16)12(3)8-20-15/h4-6,8-9H,7H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46879491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).