6-(nonylamino)-1H-pyrimidine-2,4-dione

C13H23N3O2 — CID 146025741

IUPAC6-(nonylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-7-8-9-14-11-10-12(17)16-13(18)15-11/h10H,2-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyNVTMMIUKDSXCJO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.23
Rot. Bonds9

About 6-(nonylamino)-1H-pyrimidine-2,4-dione

6-(nonylamino)-1H-pyrimidine-2,4-dione (PubChem CID 146025741) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(nonylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(nonylamino)-1H-pyrimidine-2,4-dione
PubChem CID146025741
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-(nonylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-7-8-9-14-11-10-12(17)16-13(18)15-11/h10H,2-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyNVTMMIUKDSXCJO-UHFFFAOYSA-N
XLogP2.23
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(nonylamino)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
CID 146025742
6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 12782102
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
5-bromo-6-(heptylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741354
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione
CID 11723775
5-nitroso-6-(octylamino)-1H-pyrimidine-2,4-dione
CID 12782103
3-methyl-6-[12-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]dodecylamino]-1H-pyrimidine-2,4-dione
CID 13161715
6-bromo-2-(butylamino)-1H-quinolin-4-one
CID 11055513
6-amino-1-(hexadecylamino)pyrimidine-2,4-dione
CID 70172319

Frequently Asked Questions

What is the IUPAC name of 6-(nonylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(nonylamino)-1H-pyrimidine-2,4-dione (CID 146025741) is 6-(nonylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(nonylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(nonylamino)-1H-pyrimidine-2,4-dione is CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(nonylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is NVTMMIUKDSXCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-4-5-6-7-8-9-14-11-10-12(17)16-13(18)15-11/h10H,2-9H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-(nonylamino)-1H-pyrimidine-2,4-dione?
6-(nonylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(nonylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).