2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C9H11N3S — CID 62188833

IUPAC2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2ccsc2n1
InChIInChI=1S/C9H11N3S/c1-5(2)8-11-7(10)6-3-4-13-9(6)12-8/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyFHJNFKVYMMAMBU-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.40
Rot. Bonds1

About 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188833) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62188833
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2ccsc2n1
InChIInChI=1S/C9H11N3S/c1-5(2)8-11-7(10)6-3-4-13-9(6)12-8/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyFHJNFKVYMMAMBU-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 62188833) is 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CC(C)c1nc(N)c2ccsc2n1.
What is the InChIKey of 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FHJNFKVYMMAMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-5(2)8-11-7(10)6-3-4-13-9(6)12-8/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 193.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).