6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione

C17H31N3O2 — CID 12782102

IUPAC6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C17H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-16(21)20(2)17(22)19-15/h14,18H,3-13H2,1-2H3,(H,19,22)
InChIKeyBTYAJMXPCPUKDP-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.41
Rot. Bonds12

About 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione

6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 12782102) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID12782102
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C17H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-16(21)20(2)17(22)19-15/h14,18H,3-13H2,1-2H3,(H,19,22)
InChIKeyBTYAJMXPCPUKDP-UHFFFAOYSA-N
XLogP3.41
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-[12-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]dodecylamino]-1H-pyrimidine-2,4-dione
CID 13161715
6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 165040146
5-amino-3-methyl-6-(octadecylamino)-1H-pyrimidine-2,4-dione
CID 10409207
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061
5-(pentylamino)-2-phenyl-1H-pyrazol-3-one
CID 69175650
6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
CID 129499114
6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 777243
6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
CID 142030316
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
CID 70172319

Frequently Asked Questions

What is the IUPAC name of 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 12782102) is 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione is CCCCCCCCCCCCNc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BTYAJMXPCPUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-16(21)20(2)17(22)19-15/h14,18H,3-13H2,1-2H3,(H,19,22).
What are the key properties of 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 309.45 g/mol, XLogP of 3.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12782102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).