5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione

C16H24N6O4 — CID 51039860

IUPAC5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CNCCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C16H24N6O4/c23-13-11(9-19-15(25)21-13)7-17-5-3-1-2-4-6-18-8-12-10-20-16(26)22-14(12)24/h9-10,17-18H,1-8H2,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyGFQUMUDBVUTOLZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP-1.12
Rot. Bonds11

About 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione

5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 51039860) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID51039860
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CNCCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C16H24N6O4/c23-13-11(9-19-15(25)21-13)7-17-5-3-1-2-4-6-18-8-12-10-20-16(26)22-14(12)24/h9-10,17-18H,1-8H2,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyGFQUMUDBVUTOLZ-UHFFFAOYSA-N
XLogP-1.12
TPSA155.50 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 5-1.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione (CID 51039860) is 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CNCCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GFQUMUDBVUTOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4/c23-13-11(9-19-15(25)21-13)7-17-5-3-1-2-4-6-18-8-12-10-20-16(26)22-14(12)24/h9-10,17-18H,1-8H2,(H2,19,21,23,25)(H2,20,22,24,26).
What are the key properties of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of -1.12, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51039860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).