2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

C15H24N4OS — CID 62209146

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)N(CCOC)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-4-11(5-2)19(7-8-20-3)10-13-17-14(16)12-6-9-21-15(12)18-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyQRLBSNDOWCGRBE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.91
Rot. Bonds8

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62209146) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62209146
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC(CC)N(CCOC)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-4-11(5-2)19(7-8-20-3)10-13-17-14(16)12-6-9-21-15(12)18-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyQRLBSNDOWCGRBE-UHFFFAOYSA-N
XLogP2.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657862
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996867
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348426
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182664

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62209146) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CCC(CC)N(CCOC)Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QRLBSNDOWCGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-11(5-2)19(7-8-20-3)10-13-17-14(16)12-6-9-21-15(12)18-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62209146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).