1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea

C15H22N4O3 — CID 154770422

IUPAC1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea
SMILESCn1cnc(NC(=O)NCC2CCCC3(CCC3)O2)cc1=O
InChIInChI=1S/C15H22N4O3/c1-19-10-17-12(8-13(19)20)18-14(21)16-9-11-4-2-5-15(22-11)6-3-7-15/h8,10-11H,2-7,9H2,1H3,(H2,16,18,21)
InChIKeyGUVCEAQNASIBQV-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.39
Rot. Bonds3

About 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea

1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea (PubChem CID 154770422) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea
PubChem CID154770422
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea
SMILESCn1cnc(NC(=O)NCC2CCCC3(CCC3)O2)cc1=O
InChIInChI=1S/C15H22N4O3/c1-19-10-17-12(8-13(19)20)18-14(21)16-9-11-4-2-5-15(22-11)6-3-7-15/h8,10-11H,2-7,9H2,1H3,(H2,16,18,21)
InChIKeyGUVCEAQNASIBQV-UHFFFAOYSA-N
XLogP1.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea?
The IUPAC name of 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea (CID 154770422) is 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea.
What is the SMILES notation for 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea?
The canonical SMILES for 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea is Cn1cnc(NC(=O)NCC2CCCC3(CCC3)O2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea?
The InChIKey is GUVCEAQNASIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-19-10-17-12(8-13(19)20)18-14(21)16-9-11-4-2-5-15(22-11)6-3-7-15/h8,10-11H,2-7,9H2,1H3,(H2,16,18,21).
What are the key properties of 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea?
1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea has a molecular weight of 306.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea is sourced from PubChem (CID 154770422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).