N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H15N3S — CID 2828055

IUPACN-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3ccccc3)c2c1C
InChIInChI=1S/C15H15N3S/c1-10-11(2)19-15-13(10)14(17-9-18-15)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyPLTUYNPFGXPAAT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.92
Rot. Bonds3

About N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2828055) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2828055
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3ccccc3)c2c1C
InChIInChI=1S/C15H15N3S/c1-10-11(2)19-15-13(10)14(17-9-18-15)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyPLTUYNPFGXPAAT-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 2828055) is N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3ccccc3)c2c1C.
What is the InChIKey of N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PLTUYNPFGXPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-11(2)19-15-13(10)14(17-9-18-15)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2828055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).