1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea

C13H20N4O3 — CID 124884907

IUPAC1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
SMILESCOc1cncnc1NC(=O)N[C@H](C)C1CCOCC1
InChIInChI=1S/C13H20N4O3/c1-9(10-3-5-20-6-4-10)16-13(18)17-12-11(19-2)7-14-8-15-12/h7-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-/m1/s1
InChIKeyTUWDJYLALDDLBD-SECBINFHSA-N
MW280.33 g/mol
LogP1.42
Rot. Bonds4

About 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea

1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea (PubChem CID 124884907) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
PubChem CID124884907
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
SMILESCOc1cncnc1NC(=O)N[C@H](C)C1CCOCC1
InChIInChI=1S/C13H20N4O3/c1-9(10-3-5-20-6-4-10)16-13(18)17-12-11(19-2)7-14-8-15-12/h7-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-/m1/s1
InChIKeyTUWDJYLALDDLBD-SECBINFHSA-N
XLogP1.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea (CID 124884907) is 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea is COc1cncnc1NC(=O)N[C@H](C)C1CCOCC1.
What is the InChIKey of 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is TUWDJYLALDDLBD-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(10-3-5-20-6-4-10)16-13(18)17-12-11(19-2)7-14-8-15-12/h7-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-/m1/s1.
What are the key properties of 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 280.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 124884907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).