CID 89175679

C20H26BN5O — CID 89175679

IUPAC—
SMILES[B]c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C)C1CCCC1
InChIInChI=1S/C20H26BN5O/c1-25(16-4-2-3-5-16)19-18(21)14-22-20(24-19)23-15-6-8-17(9-7-15)26-10-12-27-13-11-26/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,23,24)
InChIKeyNWZNEOXBOBPEFO-UHFFFAOYSA-N
MW363.27 g/mol
LogP2.23
Rot. Bonds5

About CID 89175679

CID 89175679 (PubChem CID 89175679) has the molecular formula C20H26BN5O and a molecular weight of 363.27 g/mol.

Molecular Properties

Compound NameCID 89175679
PubChem CID89175679
Molecular FormulaC20H26BN5O
Molecular Weight363.27 g/mol
Exact Mass363.22
IUPAC Name—
SMILES[B]c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C)C1CCCC1
InChIInChI=1S/C20H26BN5O/c1-25(16-4-2-3-5-16)19-18(21)14-22-20(24-19)23-15-6-8-17(9-7-15)26-10-12-27-13-11-26/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,23,24)
InChIKeyNWZNEOXBOBPEFO-UHFFFAOYSA-N
XLogP2.23
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide
CID 89374545
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 118687440
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
CID 10127168
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 171729690
2-N-(4-morpholin-4-ylphenyl)-5-nitro-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 70648277
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878

Frequently Asked Questions

What is the IUPAC name of CID 89175679?
The IUPAC name of CID 89175679 (CID 89175679) is not available.
What is the SMILES notation for CID 89175679?
The canonical SMILES for CID 89175679 is [B]c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C)C1CCCC1.
What is the InChIKey of CID 89175679?
The InChIKey is NWZNEOXBOBPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BN5O/c1-25(16-4-2-3-5-16)19-18(21)14-22-20(24-19)23-15-6-8-17(9-7-15)26-10-12-27-13-11-26/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,23,24).
What are the key properties of CID 89175679?
CID 89175679 has a molecular weight of 363.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89175679 is sourced from PubChem (CID 89175679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).