2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H23N3S — CID 63719456

IUPAC2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc2sc(CC)cc12
InChIInChI=1S/C15H23N3S/c1-5-8-16-14-12-9-11(7-3)19-15(12)18-13(17-14)10(4)6-2/h9-10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyVRHFRPMKIMYMGF-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.59
Rot. Bonds6

About 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63719456) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63719456
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc2sc(CC)cc12
InChIInChI=1S/C15H23N3S/c1-5-8-16-14-12-9-11(7-3)19-15(12)18-13(17-14)10(4)6-2/h9-10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyVRHFRPMKIMYMGF-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63719456) is 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C(C)CC)nc2sc(CC)cc12.
What is the InChIKey of 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VRHFRPMKIMYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-8-16-14-12-9-11(7-3)19-15(12)18-13(17-14)10(4)6-2/h9-10H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63719456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).