N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 4651362

IUPACN-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S/c1-11-9-14-15(17-12(2)18-16(14)20-11)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyHMCIBJOITJIUHZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.94
Rot. Bonds3

About N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4651362) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4651362
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S/c1-11-9-14-15(17-12(2)18-16(14)20-11)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyHMCIBJOITJIUHZ-UHFFFAOYSA-N
XLogP3.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 4651362) is N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2ccccc2)c2cc(C)sc2n1.
What is the InChIKey of N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HMCIBJOITJIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-9-14-15(17-12(2)18-16(14)20-11)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4651362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).