2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H18N4S — CID 91964996

IUPAC2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccn3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H18N4S/c1-14-11-17-19(22-13-16-9-5-6-10-21-16)23-18(24-20(17)25-14)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,24)
InChIKeyKXLLNOSBNHFUGE-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.60
Rot. Bonds5

About 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964996) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91964996
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccn3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H18N4S/c1-14-11-17-19(22-13-16-9-5-6-10-21-16)23-18(24-20(17)25-14)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,24)
InChIKeyKXLLNOSBNHFUGE-UHFFFAOYSA-N
XLogP4.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965007
6-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91965084
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
4-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
[6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63618225
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 91964996) is 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccccn3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KXLLNOSBNHFUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-14-11-17-19(22-13-16-9-5-6-10-21-16)23-18(24-20(17)25-14)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,24).
What are the key properties of 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 346.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).