4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C10H14N4O — CID 163792033

IUPAC4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)(C)N1C(=O)Cc2c(N)ncnc21
InChIInChI=1S/C10H14N4O/c1-10(2,3)14-7(15)4-6-8(11)12-5-13-9(6)14/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBESHLZRZJMRCIM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.75
Rot. Bonds

About 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 163792033) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID163792033
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)(C)N1C(=O)Cc2c(N)ncnc21
InChIInChI=1S/C10H14N4O/c1-10(2,3)14-7(15)4-6-8(11)12-5-13-9(6)14/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBESHLZRZJMRCIM-UHFFFAOYSA-N
XLogP0.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 163792033) is 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)(C)N1C(=O)Cc2c(N)ncnc21.
What is the InChIKey of 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BESHLZRZJMRCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)14-7(15)4-6-8(11)12-5-13-9(6)14/h5H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 163792033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).