4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one

C11H20N4O — CID 136689851

IUPAC4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-2-9-14-10(8-11(16)15-9)13-7-5-3-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyBYVSIDZALOZXHI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.87
Rot. Bonds7

About 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one

4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136689851) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136689851
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-2-9-14-10(8-11(16)15-9)13-7-5-3-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyBYVSIDZALOZXHI-UHFFFAOYSA-N
XLogP0.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.87
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

4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
2-ethyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973711
2-ethyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975602
4-(2,2-difluoroethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136976576
2-ethyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976587
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[(3-amino-2,2-difluoropropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979146
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136689851) is 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is BYVSIDZALOZXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-9-14-10(8-11(16)15-9)13-7-5-3-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136689851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).