[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea

C20H25N5O3 — CID 126734946

IUPAC[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2nc(C3CCOCC3)nc(C3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O3/c21-20(26)22-16-3-1-13(2-4-16)17-23-18(14-5-9-27-10-6-14)25-19(24-17)15-7-11-28-12-8-15/h1-4,14-15H,5-12H2,(H3,21,22,26)
InChIKeyJMAMZGIGSOTCDB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.82
Rot. Bonds4

About [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea

[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea (PubChem CID 126734946) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
PubChem CID126734946
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2nc(C3CCOCC3)nc(C3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O3/c21-20(26)22-16-3-1-13(2-4-16)17-23-18(14-5-9-27-10-6-14)25-19(24-17)15-7-11-28-12-8-15/h1-4,14-15H,5-12H2,(H3,21,22,26)
InChIKeyJMAMZGIGSOTCDB-UHFFFAOYSA-N
XLogP2.82
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-acetylphenyl)-3-[4-[4-(3-methylmorpholin-4-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66585679
1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 67029078
1-[4-(2-methoxyethyl)phenyl]-3-[4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 67029062
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
1-[4-[(dimethylamino)methyl]phenyl]-3-[4-[4-(3-methylmorpholin-4-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66586099
1-[4-[4-(3-methylmorpholin-4-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-[4-(2-morpholin-4-ylacetyl)phenyl]urea
CID 66585958
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
1-[4-[(3S)-3,4-dimethylpiperazine-1-carbonyl]phenyl]-3-[4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66585781
1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-[4-[(3S)-3-methylpiperazin-1-yl]phenyl]urea
CID 66585993
4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
CID 143899780
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxolane-3-carboxamide
CID 120566585
1-[4-(4-cyclobutyl-3-methylpiperazine-1-carbonyl)phenyl]-3-[4-[4-(3-methylmorpholin-4-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66585715

Frequently Asked Questions

What is the IUPAC name of [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea?
The IUPAC name of [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea (CID 126734946) is [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea.
What is the SMILES notation for [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea?
The canonical SMILES for [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea is NC(=O)Nc1ccc(-c2nc(C3CCOCC3)nc(C3CCOCC3)n2)cc1.
What is the InChIKey of [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea?
The InChIKey is JMAMZGIGSOTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c21-20(26)22-16-3-1-13(2-4-16)17-23-18(14-5-9-27-10-6-14)25-19(24-17)15-7-11-28-12-8-15/h1-4,14-15H,5-12H2,(H3,21,22,26).
What are the key properties of [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea?
[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea has a molecular weight of 383.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea is sourced from PubChem (CID 126734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).