2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C12H17N3OS — CID 116775412

IUPAC2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(NC)c2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-5-12(2,16-4)11-14-9(13-3)8-6-7-17-10(8)15-11/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyDBBVKEXSCINVHF-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116775412) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116775412
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(NC)c2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-5-12(2,16-4)11-14-9(13-3)8-6-7-17-10(8)15-11/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyDBBVKEXSCINVHF-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777433
N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 63086412
5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116777031
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
2-(3,4-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187794
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184210
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 116775412) is 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCC(C)(OC)c1nc(NC)c2ccsc2n1.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DBBVKEXSCINVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-12(2,16-4)11-14-9(13-3)8-6-7-17-10(8)15-11/h6-7H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116775412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).