1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea

C12H18N4O3 — CID 126774002

IUPAC1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea
SMILESCOc1ncncc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C12H18N4O3/c1-18-11-10(7-13-8-15-11)16-12(17)14-6-9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H2,14,16,17)
InChIKeyNXXBEJSFSYDPRJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea

1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea (PubChem CID 126774002) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea
PubChem CID126774002
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea
SMILESCOc1ncncc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C12H18N4O3/c1-18-11-10(7-13-8-15-11)16-12(17)14-6-9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H2,14,16,17)
InChIKeyNXXBEJSFSYDPRJ-UHFFFAOYSA-N
XLogP1.03
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea (CID 126774002) is 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea is COc1ncncc1NC(=O)NCC1CCOCC1.
What is the InChIKey of 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea?
The InChIKey is NXXBEJSFSYDPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-11-10(7-13-8-15-11)16-12(17)14-6-9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H2,14,16,17).
What are the key properties of 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea?
1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea has a molecular weight of 266.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-5-yl)-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 126774002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).