5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one

C20H38N4O — CID 135568299

IUPAC5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-18(21)20(25)24-17-23-19/h17H,2-16,21H2,1H3,(H2,22,23,24,25)
InChIKeyWXOAZPBEGOHPCR-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.25
Rot. Bonds16

About 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one

5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one (PubChem CID 135568299) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one
PubChem CID135568299
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-18(21)20(25)24-17-23-19/h17H,2-16,21H2,1H3,(H2,22,23,24,25)
InChIKeyWXOAZPBEGOHPCR-UHFFFAOYSA-N
XLogP5.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.25
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one (CID 135568299) is 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one is CCCCCCCCCCCCCCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one?
The InChIKey is WXOAZPBEGOHPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-18(21)20(25)24-17-23-19/h17H,2-16,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one?
5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one has a molecular weight of 350.55 g/mol, XLogP of 5.25, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(hexadecylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135568299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).