1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine

C13H19N3S — CID 63202104

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ncnc2sc(C)c(C)c12)NC
InChIInChI=1S/C13H19N3S/c1-5-10(14-4)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10,14H,5-6H2,1-4H3
InChIKeyCJDFZTLTAZYVLB-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.85
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine (PubChem CID 63202104) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine
PubChem CID63202104
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ncnc2sc(C)c(C)c12)NC
InChIInChI=1S/C13H19N3S/c1-5-10(14-4)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10,14H,5-6H2,1-4H3
InChIKeyCJDFZTLTAZYVLB-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-ethylpropan-2-amine
CID 63199392
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
CID 63196494
1-(3,6-dimethylpyrazin-2-yl)-N-methylbutan-2-amine
CID 63202106
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
CID 55219170
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone
CID 63198918
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63812315
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 104555275

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine (CID 63202104) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine is CCC(Cc1ncnc2sc(C)c(C)c12)NC.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine?
The InChIKey is CJDFZTLTAZYVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-10(14-4)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10,14H,5-6H2,1-4H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 63202104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).