5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one

C9H15ClN4O — CID 136977852

IUPAC5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCCNCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-2-3-11-4-5-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyAYGBTQMIFJOOAU-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.83
Rot. Bonds6

About 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136977852) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID136977852
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCCNCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-2-3-11-4-5-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyAYGBTQMIFJOOAU-UHFFFAOYSA-N
XLogP0.83
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.83
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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Related Compounds

5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 136974238
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852233
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one (CID 136977852) is 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one is CCCNCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is AYGBTQMIFJOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-2-3-11-4-5-12-8-7(10)9(15)14-6-13-8/h6,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 230.70 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).