methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid

C20H24N6O4 — CID 67409608

IUPACmethyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)cc1
InChIInChI=1S/C20H24N6O4/c1-24(19(27)28)15-4-2-14(3-5-15)16-21-17(25-6-8-29-9-7-25)23-18(22-16)26-10-20(11-26)12-30-13-20/h2-5H,6-13H2,1H3,(H,27,28)
InChIKeyHKFADJNHVGKEMD-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.33
Rot. Bonds4

About methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid

methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid (PubChem CID 67409608) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid
PubChem CID67409608
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Namemethyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)cc1
InChIInChI=1S/C20H24N6O4/c1-24(19(27)28)15-4-2-14(3-5-15)16-21-17(25-6-8-29-9-7-25)23-18(22-16)26-10-20(11-26)12-30-13-20/h2-5H,6-13H2,1H3,(H,27,28)
InChIKeyHKFADJNHVGKEMD-UHFFFAOYSA-N
XLogP1.33
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid with MolForge

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Related Compounds

3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
[4-[1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-methylcarbamic acid
CID 69272576
1-[2-(dimethylamino)ethyl]-3-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 44515081
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
[4-(dimethylamino)piperidin-1-yl]-[2-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]pyrimidin-5-yl]methanone
CID 166636063
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67021827
1-[4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 141367192

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid?
The IUPAC name of methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid (CID 67409608) is methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid.
What is the SMILES notation for methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid?
The canonical SMILES for methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid is CN(C(=O)O)c1ccc(-c2nc(N3CCOCC3)nc(N3CC4(COC4)C3)n2)cc1.
What is the InChIKey of methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid?
The InChIKey is HKFADJNHVGKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-24(19(27)28)15-4-2-14(3-5-15)16-21-17(25-6-8-29-9-7-25)23-18(22-16)26-10-20(11-26)12-30-13-20/h2-5H,6-13H2,1H3,(H,27,28).
What are the key properties of methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid?
methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid has a molecular weight of 412.45 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid is sourced from PubChem (CID 67409608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).