6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione

C13H15N3O3 — CID 134207868

IUPAC6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H15N3O3/c1-2-14-11-8-12(17)16(13(18)15-11)19-9-10-6-4-3-5-7-10/h3-8,14H,2,9H2,1H3,(H,15,18)
InChIKeyUKUDLDKOPKASLX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.60
Rot. Bonds5

About 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione

6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione (PubChem CID 134207868) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione
PubChem CID134207868
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H15N3O3/c1-2-14-11-8-12(17)16(13(18)15-11)19-9-10-6-4-3-5-7-10/h3-8,14H,2,9H2,1H3,(H,15,18)
InChIKeyUKUDLDKOPKASLX-UHFFFAOYSA-N
XLogP0.60
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione (CID 134207868) is 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione is CCNc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The InChIKey is UKUDLDKOPKASLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-14-11-8-12(17)16(13(18)15-11)19-9-10-6-4-3-5-7-10/h3-8,14H,2,9H2,1H3,(H,15,18).
What are the key properties of 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione?
6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134207868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).