6-(heptylamino)-1H-pyrimidin-2-one

C11H19N3O — CID 15618922

IUPAC6-(heptylamino)-1H-pyrimidin-2-one
SMILESCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-8-12-10-7-9-13-11(15)14-10/h7,9H,2-6,8H2,1H3,(H2,12,13,14,15)
InChIKeyVIVJMEVOTBULLU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds7

About 6-(heptylamino)-1H-pyrimidin-2-one

6-(heptylamino)-1H-pyrimidin-2-one (PubChem CID 15618922) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(heptylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(heptylamino)-1H-pyrimidin-2-one
PubChem CID15618922
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-(heptylamino)-1H-pyrimidin-2-one
SMILESCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-8-12-10-7-9-13-11(15)14-10/h7,9H,2-6,8H2,1H3,(H2,12,13,14,15)
InChIKeyVIVJMEVOTBULLU-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
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

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CID 101608710
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CID 139198202
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CID 580148
CID 580148
CID 101608711
CID 101608711
CID 15618923
CID 15618923
CID 15618925
CID 15618925

Frequently Asked Questions

What is the IUPAC name of 6-(heptylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(heptylamino)-1H-pyrimidin-2-one (CID 15618922) is 6-(heptylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(heptylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(heptylamino)-1H-pyrimidin-2-one is CCCCCCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(heptylamino)-1H-pyrimidin-2-one?
The InChIKey is VIVJMEVOTBULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-8-12-10-7-9-13-11(15)14-10/h7,9H,2-6,8H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-(heptylamino)-1H-pyrimidin-2-one?
6-(heptylamino)-1H-pyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(heptylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 15618922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).