2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one

C10H13N3OS — CID 91755786

IUPAC2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)6-4-5-7(14)12-9(11)13-8(5)15-6/h4H,1-3H3,(H3,11,12,13,14)
InChIKeyMRXBPJDRZDYACM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.86
Rot. Bonds

About 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one

2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 91755786) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID91755786
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)6-4-5-7(14)12-9(11)13-8(5)15-6/h4H,1-3H3,(H3,11,12,13,14)
InChIKeyMRXBPJDRZDYACM-UHFFFAOYSA-N
XLogP1.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 91755786) is 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one is CC(C)(C)c1cc2c(=O)[nH]c(N)nc2s1.
What is the InChIKey of 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MRXBPJDRZDYACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,3)6-4-5-7(14)12-9(11)13-8(5)15-6/h4H,1-3H3,(H3,11,12,13,14).
What are the key properties of 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).