CID 166164406

C20H31BN3O — CID 166164406

IUPAC—
SMILESCCCCCC(CCC)C1=Cc2nc(C)nc(N3CCOCC3)c2[B]1
InChIInChI=1S/C20H31BN3O/c1-4-6-7-9-16(8-5-2)17-14-18-19(21-17)20(23-15(3)22-18)24-10-12-25-13-11-24/h14,16H,4-13H2,1-3H3
InChIKeyINUGUIYPYUJEHG-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.30
Rot. Bonds8

About CID 166164406

CID 166164406 (PubChem CID 166164406) has the molecular formula C20H31BN3O and a molecular weight of 340.30 g/mol.

Molecular Properties

Compound NameCID 166164406
PubChem CID166164406
Molecular FormulaC20H31BN3O
Molecular Weight340.30 g/mol
Exact Mass340.26
IUPAC Name—
SMILESCCCCCC(CCC)C1=Cc2nc(C)nc(N3CCOCC3)c2[B]1
InChIInChI=1S/C20H31BN3O/c1-4-6-7-9-16(8-5-2)17-14-18-19(21-17)20(23-15(3)22-18)24-10-12-25-13-11-24/h14,16H,4-13H2,1-3H3
InChIKeyINUGUIYPYUJEHG-UHFFFAOYSA-N
XLogP3.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 166164406 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-morpholin-4-yl-6-nonan-4-ylfuro[3,2-d]pyrimidine
CID 166164830
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
N-butyl-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126479654
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 7283607
4-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
CID 755725
4-(2,6-dipentylpyrimidin-4-yl)morpholine
CID 68736218
CID 166164666
CID 166164666
4-hexadecan-8-ylmorpholine
CID 126489366
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
1-morpholin-4-ylheptan-2-ol
CID 15312312

Frequently Asked Questions

What is the IUPAC name of CID 166164406?
The IUPAC name of CID 166164406 (CID 166164406) is not available.
What is the SMILES notation for CID 166164406?
The canonical SMILES for CID 166164406 is CCCCCC(CCC)C1=Cc2nc(C)nc(N3CCOCC3)c2[B]1.
What is the InChIKey of CID 166164406?
The InChIKey is INUGUIYPYUJEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BN3O/c1-4-6-7-9-16(8-5-2)17-14-18-19(21-17)20(23-15(3)22-18)24-10-12-25-13-11-24/h14,16H,4-13H2,1-3H3.
What are the key properties of CID 166164406?
CID 166164406 has a molecular weight of 340.30 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166164406 is sourced from PubChem (CID 166164406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).