2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H21N3OS — CID 91965467

IUPAC2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCOC)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N3OS/c1-5-11-16-13(15-7-6-8-18-4)12-9(2)10(3)19-14(12)17-11/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyLVJVMAWWZPETJD-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.32
Rot. Bonds6

About 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965467) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965467
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCOC)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N3OS/c1-5-11-16-13(15-7-6-8-18-4)12-9(2)10(3)19-14(12)17-11/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyLVJVMAWWZPETJD-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63007916
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62475269
diethyl-[[4-[2-(2-fluorophenoxy)ethylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 8894817
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
2-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 91965606

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91965467) is 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCCOC)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LVJVMAWWZPETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-11-16-13(15-7-6-8-18-4)12-9(2)10(3)19-14(12)17-11/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).