4-(pentylamino)-1H-pyrimidin-6-one

C9H15N3O — CID 136955957

IUPAC4-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyGCJLUDMREKHCMU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.37
Rot. Bonds5

About 4-(pentylamino)-1H-pyrimidin-6-one

4-(pentylamino)-1H-pyrimidin-6-one (PubChem CID 136955957) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(pentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(pentylamino)-1H-pyrimidin-6-one
PubChem CID136955957
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyGCJLUDMREKHCMU-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 142964904
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514

Frequently Asked Questions

What is the IUPAC name of 4-(pentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(pentylamino)-1H-pyrimidin-6-one (CID 136955957) is 4-(pentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(pentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(pentylamino)-1H-pyrimidin-6-one is CCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(pentylamino)-1H-pyrimidin-6-one?
The InChIKey is GCJLUDMREKHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(pentylamino)-1H-pyrimidin-6-one?
4-(pentylamino)-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).