N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H18N4O3 — CID 68554269

IUPACN-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c12-5-3-1-2-4-6-13-9(16)8-7-14-11(18)15-10(8)17/h7H,1-6,12H2,(H,13,16)(H2,14,15,17,18)
InChIKeyULODCIUKNASLEM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.69
Rot. Bonds7

About N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 68554269) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID68554269
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c12-5-3-1-2-4-6-13-9(16)8-7-14-11(18)15-10(8)17/h7H,1-6,12H2,(H,13,16)(H2,14,15,17,18)
InChIKeyULODCIUKNASLEM-UHFFFAOYSA-N
XLogP-0.69
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide 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

5-cyano-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654963
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
CID 421650
CID 421650
CID 421651
CID 421651
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
1-octyl-N-[6-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186011
1-octyl-N-[7-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]heptyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186012
1-octyl-N-[8-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]octyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186285
5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
CID 188337
N-(2-diethylaminoethyl)-1-methyl-2,4-dioxo-pyrimidine-5-carboxamide
CID 176468645
4-amino-N-butyl-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 12283080
3-Fluoro-1-hexyl-2,4-dioxopyrimidine-5-carboxamide
CID 174579434

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 68554269) is N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is NCCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ULODCIUKNASLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-5-3-1-2-4-6-13-9(16)8-7-14-11(18)15-10(8)17/h7H,1-6,12H2,(H,13,16)(H2,14,15,17,18).
What are the key properties of N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 68554269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).