CID 166164666

C11H12BN3O2 — CID 166164666

IUPAC—
SMILES[B]c1cc2nc(C)nc(N3CCOCC3)c2o1
InChIInChI=1S/C11H12BN3O2/c1-7-13-8-6-9(12)17-10(8)11(14-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3
InChIKeyNYIGUGOWZHPOFX-UHFFFAOYSA-N
MW229.05 g/mol
LogP0.16
Rot. Bonds1

About CID 166164666

CID 166164666 (PubChem CID 166164666) has the molecular formula C11H12BN3O2 and a molecular weight of 229.05 g/mol.

Molecular Properties

Compound NameCID 166164666
PubChem CID166164666
Molecular FormulaC11H12BN3O2
Molecular Weight229.05 g/mol
Exact Mass229.10
IUPAC Name—
SMILES[B]c1cc2nc(C)nc(N3CCOCC3)c2o1
InChIInChI=1S/C11H12BN3O2/c1-7-13-8-6-9(12)17-10(8)11(14-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3
InChIKeyNYIGUGOWZHPOFX-UHFFFAOYSA-N
XLogP0.16
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-morpholin-4-yl-6-(1,3-oxazol-2-yl)furo[3,2-d]pyrimidine
CID 166164919
2-methyl-4-morpholin-4-yl-6-nonan-4-ylfuro[3,2-d]pyrimidine
CID 166164830
2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
CID 166164967
2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
CID 166738382
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
CID 145420374

Frequently Asked Questions

What is the IUPAC name of CID 166164666?
The IUPAC name of CID 166164666 (CID 166164666) is not available.
What is the SMILES notation for CID 166164666?
The canonical SMILES for CID 166164666 is [B]c1cc2nc(C)nc(N3CCOCC3)c2o1.
What is the InChIKey of CID 166164666?
The InChIKey is NYIGUGOWZHPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BN3O2/c1-7-13-8-6-9(12)17-10(8)11(14-7)15-2-4-16-5-3-15/h6H,2-5H2,1H3.
What are the key properties of CID 166164666?
CID 166164666 has a molecular weight of 229.05 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166164666 is sourced from PubChem (CID 166164666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).