7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H16N4O — CID 136600944

IUPAC7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCCNCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-12-5-8-6-13-10-9(8)14-7-15-11(10)16/h6-7,12-13H,2-5H2,1H3,(H,14,15,16)
InChIKeyBYTFXRZVOZIRCB-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds5

About 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 136600944) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID136600944
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCCNCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-12-5-8-6-13-10-9(8)14-7-15-11(10)16/h6-7,12-13H,2-5H2,1H3,(H,14,15,16)
InChIKeyBYTFXRZVOZIRCB-UHFFFAOYSA-N
XLogP1.14
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 136600944) is 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CCCCNCc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is BYTFXRZVOZIRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-3-4-12-5-8-6-13-10-9(8)14-7-15-11(10)16/h6-7,12-13H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136600944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).