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

C20H38N4O2 — CID 70172319

IUPAC6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCNn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-24-18(21)17-19(25)23-20(24)26/h17,22H,2-16,21H2,1H3,(H,23,25,26)
InChIKeyJMOVPMWRRLGNCI-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.14
Rot. Bonds16

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

6-amino-1-(hexadecylamino)pyrimidine-2,4-dione (PubChem CID 70172319) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
PubChem CID70172319
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCNn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-24-18(21)17-19(25)23-20(24)26/h17,22H,2-16,21H2,1H3,(H,23,25,26)
InChIKeyJMOVPMWRRLGNCI-UHFFFAOYSA-N
XLogP4.14
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 12782102
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
5-amino-3-methyl-6-(octadecylamino)-1H-pyrimidine-2,4-dione
CID 10409207
1-(hexylamino)pyrrole-2,5-dione
CID 68628927
7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137167951
6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 82943721
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-amino-4-hexyl-1H-pyrimidin-6-one
CID 156874763
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione (CID 70172319) is 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione is CCCCCCCCCCCCCCCCNn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione?
The InChIKey is JMOVPMWRRLGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-24-18(21)17-19(25)23-20(24)26/h17,22H,2-16,21H2,1H3,(H,23,25,26).
What are the key properties of 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione?
6-amino-1-(hexadecylamino)pyrimidine-2,4-dione has a molecular weight of 366.55 g/mol, XLogP of 4.14, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(hexadecylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 70172319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).