1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione

C17H26N4O3 — CID 71981836

IUPAC1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)CN1C(=O)C2(CCCC2)NC1c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-11(2)9-21-13(18-17(15(21)23)7-5-6-8-17)12-10-19(3)16(24)20(4)14(12)22/h10-11,13,18H,5-9H2,1-4H3
InChIKeyBTDPWTPKVKZBBH-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.48
Rot. Bonds3

About 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione

1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione (PubChem CID 71981836) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione
PubChem CID71981836
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)CN1C(=O)C2(CCCC2)NC1c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-11(2)9-21-13(18-17(15(21)23)7-5-6-8-17)12-10-19(3)16(24)20(4)14(12)22/h10-11,13,18H,5-9H2,1-4H3
InChIKeyBTDPWTPKVKZBBH-UHFFFAOYSA-N
XLogP0.48
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione (CID 71981836) is 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione is CC(C)CN1C(=O)C2(CCCC2)NC1c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BTDPWTPKVKZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)9-21-13(18-17(15(21)23)7-5-6-8-17)12-10-19(3)16(24)20(4)14(12)22/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione has a molecular weight of 334.42 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(2-methylpropyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 71981836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).