4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one

C15H18N4O3 — CID 167831767

IUPAC4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCNC(=O)C12CC2
InChIInChI=1S/C15H18N4O3/c20-11-8-10(17-12(18-11)9-2-3-9)13(21)19-7-1-6-16-14(22)15(19)4-5-15/h8-9H,1-7H2,(H,16,22)(H,17,18,20)
InChIKeyQRAMCCSXPRJNGW-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.14
Rot. Bonds2

About 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one

4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one (PubChem CID 167831767) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one
PubChem CID167831767
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCNC(=O)C12CC2
InChIInChI=1S/C15H18N4O3/c20-11-8-10(17-12(18-11)9-2-3-9)13(21)19-7-1-6-16-14(22)15(19)4-5-15/h8-9H,1-7H2,(H,16,22)(H,17,18,20)
InChIKeyQRAMCCSXPRJNGW-UHFFFAOYSA-N
XLogP0.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one?
The IUPAC name of 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one (CID 167831767) is 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one.
What is the SMILES notation for 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one?
The canonical SMILES for 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCNC(=O)C12CC2.
What is the InChIKey of 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one?
The InChIKey is QRAMCCSXPRJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-11-8-10(17-12(18-11)9-2-3-9)13(21)19-7-1-6-16-14(22)15(19)4-5-15/h8-9H,1-7H2,(H,16,22)(H,17,18,20).
What are the key properties of 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one?
4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one has a molecular weight of 302.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one is sourced from PubChem (CID 167831767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).