1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione

C15H14N4O3 — CID 153312448

IUPAC1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1Oc1ncc(N2CCC(=O)NC2=O)cn1
InChIInChI=1S/C15H14N4O3/c1-10-4-2-3-5-12(10)22-14-16-8-11(9-17-14)19-7-6-13(20)18-15(19)21/h2-5,8-9H,6-7H2,1H3,(H,18,20,21)
InChIKeyPSXRDEPTAFRZHZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione

1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 153312448) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID153312448
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1Oc1ncc(N2CCC(=O)NC2=O)cn1
InChIInChI=1S/C15H14N4O3/c1-10-4-2-3-5-12(10)22-14-16-8-11(9-17-14)19-7-6-13(20)18-15(19)21/h2-5,8-9H,6-7H2,1H3,(H,18,20,21)
InChIKeyPSXRDEPTAFRZHZ-UHFFFAOYSA-N
XLogP2.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 153312448) is 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione is Cc1ccccc1Oc1ncc(N2CCC(=O)NC2=O)cn1.
What is the InChIKey of 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is PSXRDEPTAFRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-4-2-3-5-12(10)22-14-16-8-11(9-17-14)19-7-6-13(20)18-15(19)21/h2-5,8-9H,6-7H2,1H3,(H,18,20,21).
What are the key properties of 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 153312448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).