1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea

C19H24N4O3 — CID 166237641

IUPAC1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
SMILESCc1ccnc(-c2cccc(NC(=O)NC(CO)C3CCCOC3)c2)n1
InChIInChI=1S/C19H24N4O3/c1-13-7-8-20-18(21-13)14-4-2-6-16(10-14)22-19(25)23-17(11-24)15-5-3-9-26-12-15/h2,4,6-8,10,15,17,24H,3,5,9,11-12H2,1H3,(H2,22,23,25)
InChIKeyOOWSSRWHONJWHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.36
Rot. Bonds5

About 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea

1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea (PubChem CID 166237641) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
PubChem CID166237641
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
SMILESCc1ccnc(-c2cccc(NC(=O)NC(CO)C3CCCOC3)c2)n1
InChIInChI=1S/C19H24N4O3/c1-13-7-8-20-18(21-13)14-4-2-6-16(10-14)22-19(25)23-17(11-24)15-5-3-9-26-12-15/h2,4,6-8,10,15,17,24H,3,5,9,11-12H2,1H3,(H2,22,23,25)
InChIKeyOOWSSRWHONJWHI-UHFFFAOYSA-N
XLogP2.36
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea (CID 166237641) is 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea is Cc1ccnc(-c2cccc(NC(=O)NC(CO)C3CCCOC3)c2)n1.
What is the InChIKey of 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea?
The InChIKey is OOWSSRWHONJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-7-8-20-18(21-13)14-4-2-6-16(10-14)22-19(25)23-17(11-24)15-5-3-9-26-12-15/h2,4,6-8,10,15,17,24H,3,5,9,11-12H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea?
1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea has a molecular weight of 356.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(oxan-3-yl)ethyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 166237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).