5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one

C12H20N4O — CID 136883400

IUPAC5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyKBETVLKBYBIYFN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds5

About 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one

5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136883400) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
PubChem CID136883400
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyKBETVLKBYBIYFN-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one (CID 136883400) is 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one is Nc1c(NCCCC2CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is KBETVLKBYBIYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-11(15-8-16-12(10)17)14-7-3-6-9-4-1-2-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136883400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).