6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C18H14N4S — CID 45275716

IUPAC6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccnc2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C18H14N4S/c19-16-15-10-14(9-12-5-2-1-3-6-12)23-18(15)22-17(21-16)13-7-4-8-20-11-13/h1-8,10-11H,9H2,(H2,19,21,22)
InChIKeyZIPXHYWCPDUDDE-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.93
Rot. Bonds3

About 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275716) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID45275716
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccnc2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C18H14N4S/c19-16-15-10-14(9-12-5-2-1-3-6-12)23-18(15)22-17(21-16)13-7-4-8-20-11-13/h1-8,10-11H,9H2,(H2,19,21,22)
InChIKeyZIPXHYWCPDUDDE-UHFFFAOYSA-N
XLogP3.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 45275716) is 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cccnc2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIPXHYWCPDUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c19-16-15-10-14(9-12-5-2-1-3-6-12)23-18(15)22-17(21-16)13-7-4-8-20-11-13/h1-8,10-11H,9H2,(H2,19,21,22).
What are the key properties of 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).