5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione

C20H38N4O2 — CID 10090341

IUPAC5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17(21)19(25)24-20(26)23-18/h2-16,21H2,1H3,(H3,22,23,24,25,26)
InChIKeyCQKGCGSANWVDEZ-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.54
Rot. Bonds16

About 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione

5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione (PubChem CID 10090341) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione
PubChem CID10090341
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17(21)19(25)24-20(26)23-18/h2-16,21H2,1H3,(H3,22,23,24,25,26)
InChIKeyCQKGCGSANWVDEZ-UHFFFAOYSA-N
XLogP4.54
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.54
H-Bond Donors ≤ 54
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-6-(hexadecylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione (CID 10090341) is 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione is CCCCCCCCCCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is CQKGCGSANWVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17(21)19(25)24-20(26)23-18/h2-16,21H2,1H3,(H3,22,23,24,25,26).
What are the key properties of 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione?
5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 366.55 g/mol, XLogP of 4.54, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10090341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).