2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

C10H14N4O — CID 139393567

IUPAC2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)C1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C10H14N4O/c1-10(2,3)5-4-12-7-6(5)13-9(11)14-8(7)15/h4-5H,1-3H3,(H3,11,13,14,15)
InChIKeyDCPZMFLHYHXTBU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.20
Rot. Bonds

About 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 139393567) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID139393567
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)C1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C10H14N4O/c1-10(2,3)5-4-12-7-6(5)13-9(11)14-8(7)15/h4-5H,1-3H3,(H3,11,13,14,15)
InChIKeyDCPZMFLHYHXTBU-UHFFFAOYSA-N
XLogP1.20
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 139393567) is 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is CC(C)(C)C1C=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is DCPZMFLHYHXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)5-4-12-7-6(5)13-9(11)14-8(7)15/h4-5H,1-3H3,(H3,11,13,14,15).
What are the key properties of 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139393567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).