2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H24N4OS — CID 63007916

IUPAC2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CCCOC)nc2sc(C)c(C)c12
InChIInChI=1S/C15H24N4OS/c1-10-11(2)21-15-13(10)14(16-3)17-12(18-15)9-19(4)7-6-8-20-5/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyOAAMQVZSFNYMHD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.82
Rot. Bonds7

About 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63007916) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63007916
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CCCOC)nc2sc(C)c(C)c12
InChIInChI=1S/C15H24N4OS/c1-10-11(2)21-15-13(10)14(16-3)17-12(18-15)9-19(4)7-6-8-20-5/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyOAAMQVZSFNYMHD-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 81062922
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
3-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-2-methylpropanenitrile
CID 62183357
2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965467
2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62183070
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
CID 62013399
2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193496
1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336235
2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 62183806
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 63007916) is 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN(C)CCCOC)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OAAMQVZSFNYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10-11(2)21-15-13(10)14(16-3)17-12(18-15)9-19(4)7-6-8-20-5/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63007916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).