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

C18H21N3S — CID 91965023

IUPAC2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(Cc2ccccc2)nc2sc(C)cc12
InChIInChI=1S/C18H21N3S/c1-4-21(5-2)17-15-11-13(3)22-18(15)20-16(19-17)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3
InChIKeyJIHVBSCCUJTFOY-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.44
Rot. Bonds5

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

2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965023) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965023
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(Cc2ccccc2)nc2sc(C)cc12
InChIInChI=1S/C18H21N3S/c1-4-21(5-2)17-15-11-13(3)22-18(15)20-16(19-17)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3
InChIKeyJIHVBSCCUJTFOY-UHFFFAOYSA-N
XLogP4.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-N,N-diethyl-6-isocyano-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 58727559
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
10-benzyl-N,N-diethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 91965977
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 91965067
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
4-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 91965023) is 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(Cc2ccccc2)nc2sc(C)cc12.
What is the InChIKey of 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JIHVBSCCUJTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-4-21(5-2)17-15-11-13(3)22-18(15)20-16(19-17)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).