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

C16H24N4S — CID 103329896

IUPAC4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCCCCN1c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBHKLNIRSFLJJQB-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.20
Rot. Bonds3

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

4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103329896) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103329896
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCCCCN1c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBHKLNIRSFLJJQB-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103329896) is 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CCC1CCCCCN1c1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BHKLNIRSFLJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103329896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).