5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C17H24N4O3 — CID 71861792

IUPAC5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2NC3(CCCC3)C(=O)N2CC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-19-10-12(14(22)20(2)16(19)24)13-18-17(7-3-4-8-17)15(23)21(13)9-11-5-6-11/h10-11,13,18H,3-9H2,1-2H3
InChIKeyLUAYVCCOGUBKDX-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.24
Rot. Bonds3

About 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71861792) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71861792
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2NC3(CCCC3)C(=O)N2CC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-19-10-12(14(22)20(2)16(19)24)13-18-17(7-3-4-8-17)15(23)21(13)9-11-5-6-11/h10-11,13,18H,3-9H2,1-2H3
InChIKeyLUAYVCCOGUBKDX-UHFFFAOYSA-N
XLogP0.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 71861792) is 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C2NC3(CCCC3)C(=O)N2CC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LUAYVCCOGUBKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-10-12(14(22)20(2)16(19)24)13-18-17(7-3-4-8-17)15(23)21(13)9-11-5-6-11/h10-11,13,18H,3-9H2,1-2H3.
What are the key properties of 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71861792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).