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

C17H31N3O — CID 18353592

IUPAC2-(tridecylamino)-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C17H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-17-19-15-13-16(21)20-17/h13,15H,2-12,14H2,1H3,(H2,18,19,20,21)
InChIKeyBQXIGUOTPSBEJD-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.49
Rot. Bonds13

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

2-(tridecylamino)-1H-pyrimidin-6-one (PubChem CID 18353592) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(tridecylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(tridecylamino)-1H-pyrimidin-6-one
PubChem CID18353592
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(tridecylamino)-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C17H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-17-19-15-13-16(21)20-17/h13,15H,2-12,14H2,1H3,(H2,18,19,20,21)
InChIKeyBQXIGUOTPSBEJD-UHFFFAOYSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.49
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 2-(tridecylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(tridecylamino)-1H-pyrimidin-6-one (CID 18353592) is 2-(tridecylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(tridecylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(tridecylamino)-1H-pyrimidin-6-one is CCCCCCCCCCCCCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(tridecylamino)-1H-pyrimidin-6-one?
The InChIKey is BQXIGUOTPSBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-17-19-15-13-16(21)20-17/h13,15H,2-12,14H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(tridecylamino)-1H-pyrimidin-6-one?
2-(tridecylamino)-1H-pyrimidin-6-one has a molecular weight of 293.45 g/mol, XLogP of 4.49, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tridecylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 18353592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).