2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 66215279

IUPAC2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(Cc1nc(N)c2c(C)c(C)sc2n1)C1CNC1
InChIInChI=1S/C15H23N5S/c1-4-5-20(11-6-17-7-11)8-12-18-14(16)13-9(2)10(3)21-15(13)19-12/h11,17H,4-8H2,1-3H3,(H2,16,18,19)
InChIKeyUPSKZCXPIBJHKC-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.07
Rot. Bonds5

About 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66215279) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66215279
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(Cc1nc(N)c2c(C)c(C)sc2n1)C1CNC1
InChIInChI=1S/C15H23N5S/c1-4-5-20(11-6-17-7-11)8-12-18-14(16)13-9(2)10(3)21-15(13)19-12/h11,17H,4-8H2,1-3H3,(H2,16,18,19)
InChIKeyUPSKZCXPIBJHKC-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 66215279) is 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCCN(Cc1nc(N)c2c(C)c(C)sc2n1)C1CNC1.
What is the InChIKey of 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UPSKZCXPIBJHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-4-5-20(11-6-17-7-11)8-12-18-14(16)13-9(2)10(3)21-15(13)19-12/h11,17H,4-8H2,1-3H3,(H2,16,18,19).
What are the key properties of 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66215279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).