7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H22N4O4 — CID 146289881

IUPAC7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(Oc2cc(C3CCCC4(C3)NC(=O)NC4=O)ncn2)ccc1C
InChIInChI=1S/C20H22N4O4/c1-12-5-6-14(8-16(12)27-2)28-17-9-15(21-11-22-17)13-4-3-7-20(10-13)18(25)23-19(26)24-20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyAXJHTBCJWJXTOG-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.82
Rot. Bonds4

About 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 146289881) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID146289881
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(Oc2cc(C3CCCC4(C3)NC(=O)NC4=O)ncn2)ccc1C
InChIInChI=1S/C20H22N4O4/c1-12-5-6-14(8-16(12)27-2)28-17-9-15(21-11-22-17)13-4-3-7-20(10-13)18(25)23-19(26)24-20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyAXJHTBCJWJXTOG-UHFFFAOYSA-N
XLogP2.82
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 146289881) is 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1cc(Oc2cc(C3CCCC4(C3)NC(=O)NC4=O)ncn2)ccc1C.
What is the InChIKey of 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is AXJHTBCJWJXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-5-6-14(8-16(12)27-2)28-17-9-15(21-11-22-17)13-4-3-7-20(10-13)18(25)23-19(26)24-20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 146289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).