1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C11H19N5O2 — CID 136626562

IUPAC1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCc1cc(=O)[nH]c(NC(=O)NCCCCCN)n1
InChIInChI=1S/C11H19N5O2/c1-8-7-9(17)15-10(14-8)16-11(18)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyIOGIUHNKIYBEON-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.33
Rot. Bonds6

About 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 136626562) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID136626562
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCc1cc(=O)[nH]c(NC(=O)NCCCCCN)n1
InChIInChI=1S/C11H19N5O2/c1-8-7-9(17)15-10(14-8)16-11(18)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyIOGIUHNKIYBEON-UHFFFAOYSA-N
XLogP0.33
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.33
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 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 136626562) is 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is Cc1cc(=O)[nH]c(NC(=O)NCCCCCN)n1.
What is the InChIKey of 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is IOGIUHNKIYBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-7-9(17)15-10(14-8)16-11(18)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 253.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 136626562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).