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'}

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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).