N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine

C14H13N3S — CID 68604925

IUPACN-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H13N3S/c1-10-8-18-14-12(10)13(16-9-17-14)15-7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,17)
InChIKeyVDXSQCANFKUWKO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine

N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 68604925) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID68604925
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H13N3S/c1-10-8-18-14-12(10)13(16-9-17-14)15-7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,17)
InChIKeyVDXSQCANFKUWKO-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 68604925) is N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCc3ccccc3)c12.
What is the InChIKey of N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VDXSQCANFKUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-8-18-14-12(10)13(16-9-17-14)15-7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,17).
What are the key properties of N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68604925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).