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

C15H22N6O4 — CID 51039859

IUPAC5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CNCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H22N6O4/c22-12-10(8-18-14(24)20-12)6-16-4-2-1-3-5-17-7-11-9-19-15(25)21-13(11)23/h8-9,16-17H,1-7H2,(H2,18,20,22,24)(H2,19,21,23,25)
InChIKeyCAVHRCDIIFHUPW-UHFFFAOYSA-N
MW350.38 g/mol
LogP-1.51
Rot. Bonds10

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

5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 51039859) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID51039859
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CNCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H22N6O4/c22-12-10(8-18-14(24)20-12)6-16-4-2-1-3-5-17-7-11-9-19-15(25)21-13(11)23/h8-9,16-17H,1-7H2,(H2,18,20,22,24)(H2,19,21,23,25)
InChIKeyCAVHRCDIIFHUPW-UHFFFAOYSA-N
XLogP-1.51
TPSA155.50 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 5-1.51
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-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione (CID 51039859) is 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CNCCCCCNCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CAVHRCDIIFHUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c22-12-10(8-18-14(24)20-12)6-16-4-2-1-3-5-17-7-11-9-19-15(25)21-13(11)23/h8-9,16-17H,1-7H2,(H2,18,20,22,24)(H2,19,21,23,25).
What are the key properties of 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione?
5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of -1.51, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51039859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).