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

C16H29N3O — CID 15618925

IUPAC6-(dodecylamino)-1H-pyrimidin-2-one
SMILESCCCCCCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-13-17-15-12-14-18-16(20)19-15/h12,14H,2-11,13H2,1H3,(H2,17,18,19,20)
InChIKeyGHQJUZCOZGHCIT-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.10
Rot. Bonds12

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

6-(dodecylamino)-1H-pyrimidin-2-one (PubChem CID 15618925) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-(dodecylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(dodecylamino)-1H-pyrimidin-2-one
PubChem CID15618925
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name6-(dodecylamino)-1H-pyrimidin-2-one
SMILESCCCCCCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-13-17-15-12-14-18-16(20)19-15/h12,14H,2-11,13H2,1H3,(H2,17,18,19,20)
InChIKeyGHQJUZCOZGHCIT-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 6-(dodecylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(dodecylamino)-1H-pyrimidin-2-one (CID 15618925) is 6-(dodecylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(dodecylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(dodecylamino)-1H-pyrimidin-2-one is CCCCCCCCCCCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(dodecylamino)-1H-pyrimidin-2-one?
The InChIKey is GHQJUZCOZGHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-13-17-15-12-14-18-16(20)19-15/h12,14H,2-11,13H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-(dodecylamino)-1H-pyrimidin-2-one?
6-(dodecylamino)-1H-pyrimidin-2-one has a molecular weight of 279.43 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dodecylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 15618925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).