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

C16H24N6O4 — CID 142760782

IUPAC5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCCC(CCCNCc1c[nH]c(=O)[nH]c1=O)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O4/c1-2-12(18-7-11-9-20-16(26)22-14(11)24)4-3-5-17-6-10-8-19-15(25)21-13(10)23/h8-9,12,17-18H,2-7H2,1H3,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyQBTQEBVXKDURAD-UHFFFAOYSA-N
MW364.41 g/mol
LogP-1.12
Rot. Bonds10

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

5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 142760782) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID142760782
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCCC(CCCNCc1c[nH]c(=O)[nH]c1=O)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O4/c1-2-12(18-7-11-9-20-16(26)22-14(11)24)4-3-5-17-6-10-8-19-15(25)21-13(10)23/h8-9,12,17-18H,2-7H2,1H3,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyQBTQEBVXKDURAD-UHFFFAOYSA-N
XLogP-1.12
TPSA155.50 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
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-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione (CID 142760782) is 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione is CCC(CCCNCc1c[nH]c(=O)[nH]c1=O)NCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QBTQEBVXKDURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-2-12(18-7-11-9-20-16(26)22-14(11)24)4-3-5-17-6-10-8-19-15(25)21-13(10)23/h8-9,12,17-18H,2-7H2,1H3,(H2,19,21,23,25)(H2,20,22,24,26).
What are the key properties of 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione?
5-[[4-[(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, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]hexylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142760782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).