N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H23N3OS — CID 133484980

IUPACN-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc2scc(C)c12)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-9-8-20-14-12(9)13(17-10(2)18-14)16-7-11(19-6)15(3,4)5/h8,11H,7H2,1-6H3,(H,16,17,18)
InChIKeyDZEOKQDYCBBQOY-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.78
Rot. Bonds4

About N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133484980) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133484980
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc2scc(C)c12)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-9-8-20-14-12(9)13(17-10(2)18-14)16-7-11(19-6)15(3,4)5/h8,11H,7H2,1-6H3,(H,16,17,18)
InChIKeyDZEOKQDYCBBQOY-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 138030024
2,5-dimethyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 154788088
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 75510060
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
CID 75457587
2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133484650
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 133491020
(4S,5R)-4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129003141
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133485780
5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
CID 154772434
methyl 2-hydroxy-2-methyl-3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 75508860

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 133484980) is N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is COC(CNc1nc(C)nc2scc(C)c12)C(C)(C)C.
What is the InChIKey of N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DZEOKQDYCBBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-8-20-14-12(9)13(17-10(2)18-14)16-7-11(19-6)15(3,4)5/h8,11H,7H2,1-6H3,(H,16,17,18).
What are the key properties of N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133484980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).