N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine

C11H15N3S — CID 13038283

IUPACN-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CNc1ncnc2sccc12
InChIInChI=1S/C11H15N3S/c1-11(2,3)6-12-9-8-4-5-15-10(8)14-7-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyXQLXEOIBAIVANV-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.15
Rot. Bonds2

About N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine

N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038283) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID13038283
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CNc1ncnc2sccc12
InChIInChI=1S/C11H15N3S/c1-11(2,3)6-12-9-8-4-5-15-10(8)14-7-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyXQLXEOIBAIVANV-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133342162
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 114008836

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 13038283) is N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)CNc1ncnc2sccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XQLXEOIBAIVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(2,3)6-12-9-8-4-5-15-10(8)14-7-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 221.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).