2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H19N3S2 — CID 91964664

IUPAC2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NCc3cccs3)c2c1C
InChIInChI=1S/C20H19N3S2/c1-13-14(2)25-20-18(13)19(21-12-16-9-6-10-24-16)22-17(23-20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyRYYOYLJXFHEWLE-UHFFFAOYSA-N
MW365.53 g/mol
LogP5.57
Rot. Bonds5

About 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964664) has the molecular formula C20H19N3S2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91964664
Molecular FormulaC20H19N3S2
Molecular Weight365.53 g/mol
Exact Mass365.10
IUPAC Name2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NCc3cccs3)c2c1C
InChIInChI=1S/C20H19N3S2/c1-13-14(2)25-20-18(13)19(21-12-16-9-6-10-24-16)22-17(23-20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyRYYOYLJXFHEWLE-UHFFFAOYSA-N
XLogP5.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726
6-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91964727
2-benzyl-N-(4-bromophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964603
2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964687
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 4549818
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 91964664) is 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cc3ccccc3)nc(NCc3cccs3)c2c1C.
What is the InChIKey of 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RYYOYLJXFHEWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S2/c1-13-14(2)25-20-18(13)19(21-12-16-9-6-10-24-16)22-17(23-20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.53 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).