CID 163830124

C16H20AlN7O — CID 163830124

IUPAC—
SMILESCN1CN([Al])Cc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C16H20N7O.Al/c1-22-11-17-8-12-9-19-16(21-15(12)22)20-13-2-3-14(18-10-13)23-4-6-24-7-5-23;/h2-3,9-10H,4-8,11H2,1H3,(H,19,20,21);/q-1;+1
InChIKeyTYFFXXDAEUFDIC-UHFFFAOYSA-N
MW353.37 g/mol
LogP0.74
Rot. Bonds3

About CID 163830124

CID 163830124 (PubChem CID 163830124) has the molecular formula C16H20AlN7O and a molecular weight of 353.37 g/mol.

Molecular Properties

Compound NameCID 163830124
PubChem CID163830124
Molecular FormulaC16H20AlN7O
Molecular Weight353.37 g/mol
Exact Mass353.15
IUPAC Name—
SMILESCN1CN([Al])Cc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C16H20N7O.Al/c1-22-11-17-8-12-9-19-16(21-15(12)22)20-13-2-3-14(18-10-13)23-4-6-24-7-5-23;/h2-3,9-10H,4-8,11H2,1H3,(H,19,20,21);/q-1;+1
InChIKeyTYFFXXDAEUFDIC-UHFFFAOYSA-N
XLogP0.74
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 66820105
3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
CID 68758179
N-(6-morpholin-4-yl-3-pyridinyl)-8-pyridin-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 118162872
N-(2-methylcyclohexyl)-6-morpholin-4-ylpyridin-3-amine
CID 43724736
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547346
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126

Frequently Asked Questions

What is the IUPAC name of CID 163830124?
The IUPAC name of CID 163830124 (CID 163830124) is not available.
What is the SMILES notation for CID 163830124?
The canonical SMILES for CID 163830124 is CN1CN([Al])Cc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21.
What is the InChIKey of CID 163830124?
The InChIKey is TYFFXXDAEUFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N7O.Al/c1-22-11-17-8-12-9-19-16(21-15(12)22)20-13-2-3-14(18-10-13)23-4-6-24-7-5-23;/h2-3,9-10H,4-8,11H2,1H3,(H,19,20,21);/q-1;+1.
What are the key properties of CID 163830124?
CID 163830124 has a molecular weight of 353.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163830124 is sourced from PubChem (CID 163830124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).