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

C16H30N4O2 — CID 10018296

IUPAC6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14(17)19-16(22)20-15(13)21/h18H,2-12H2,1H3,(H4,17,19,20,21,22)
InChIKeySLEQTKSXKYLAFS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.98
Rot. Bonds12

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

6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione (PubChem CID 10018296) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
PubChem CID10018296
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14(17)19-16(22)20-15(13)21/h18H,2-12H2,1H3,(H4,17,19,20,21,22)
InChIKeySLEQTKSXKYLAFS-UHFFFAOYSA-N
XLogP2.98
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.98
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 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione (CID 10018296) is 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione is CCCCCCCCCCCCNc1c(N)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is SLEQTKSXKYLAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14(17)19-16(22)20-15(13)21/h18H,2-12H2,1H3,(H4,17,19,20,21,22).
What are the key properties of 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione?
6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 310.44 g/mol, XLogP of 2.98, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10018296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).