1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea

C12H20N4O3 — CID 137028656

IUPAC1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea
SMILESCCCN(CCOC)C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O3/c1-3-4-16(5-6-19-2)12(18)13-8-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyXCLXOQOSNDHGFU-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.34
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea

1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea (PubChem CID 137028656) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea
PubChem CID137028656
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea
SMILESCCCN(CCOC)C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O3/c1-3-4-16(5-6-19-2)12(18)13-8-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyXCLXOQOSNDHGFU-UHFFFAOYSA-N
XLogP0.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea (CID 137028656) is 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea is CCCN(CCOC)C(=O)NCc1cc(=O)[nH]cn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea?
The InChIKey is XCLXOQOSNDHGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-4-16(5-6-19-2)12(18)13-8-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea?
1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea has a molecular weight of 268.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-propylurea is sourced from PubChem (CID 137028656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).