1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H29N5O2 — CID 165419600

IUPAC1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C19H29N5O2/c1-5-6-15-11-20-14(4)21-16(15)23-9-7-19(8-10-23)17(25)22-18(26)24(19)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,22,25,26)
InChIKeyKCHZPLKZMNYXKY-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165419600) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165419600
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C19H29N5O2/c1-5-6-15-11-20-14(4)21-16(15)23-9-7-19(8-10-23)17(25)22-18(26)24(19)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,22,25,26)
InChIKeyKCHZPLKZMNYXKY-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165419600) is 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCc1cnc(C)nc1N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KCHZPLKZMNYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-5-6-15-11-20-14(4)21-16(15)23-9-7-19(8-10-23)17(25)22-18(26)24(19)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,22,25,26).
What are the key properties of 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 359.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165419600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).