CID 89248015

C20H24BN3OS — CID 89248015

IUPAC—
SMILES[B]c1ccc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C20H24BN3OS/c1-19(2,3)13-8-6-12(7-9-13)16-17(25)24(5)18(22)23-20(16,4)14-10-11-15(21)26-14/h6-11,16H,1-5H3,(H2,22,23)/t16-,20-/m1/s1
InChIKeyYQHOEEBCENZGIU-OXQOHEQNSA-N
MW365.31 g/mol
LogP2.63
Rot. Bonds2

About CID 89248015

CID 89248015 (PubChem CID 89248015) has the molecular formula C20H24BN3OS and a molecular weight of 365.31 g/mol.

Molecular Properties

Compound NameCID 89248015
PubChem CID89248015
Molecular FormulaC20H24BN3OS
Molecular Weight365.31 g/mol
Exact Mass365.17
IUPAC Name—
SMILES[B]c1ccc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C20H24BN3OS/c1-19(2,3)13-8-6-12(7-9-13)16-17(25)24(5)18(22)23-20(16,4)14-10-11-15(21)26-14/h6-11,16H,1-5H3,(H2,22,23)/t16-,20-/m1/s1
InChIKeyYQHOEEBCENZGIU-OXQOHEQNSA-N
XLogP2.63
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 89248015 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

(6S)-2-amino-6-(5-bromothiophen-2-yl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 145462313
5-[(4S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile
CID 59387587
(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one
CID 59387380
(6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 59387319
(5S,6S)-2-amino-5-(4-tert-butylphenyl)-6-[4-(4,5-dihydropyrimidin-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248095
(6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-[4-(5-methyl-3,4-dihydropyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 89248257
(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 145460959
5-[(4S,5S)-2-amino-5-[4-(difluoromethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile
CID 89004975
(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89005192
(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-[4-(5-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 70304475
5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile
CID 59387236
(5S,6S)-2-amino-6-(5-aminothiophen-2-yl)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89247644

Frequently Asked Questions

What is the IUPAC name of CID 89248015?
The IUPAC name of CID 89248015 (CID 89248015) is not available.
What is the SMILES notation for CID 89248015?
The canonical SMILES for CID 89248015 is [B]c1ccc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of CID 89248015?
The InChIKey is YQHOEEBCENZGIU-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24BN3OS/c1-19(2,3)13-8-6-12(7-9-13)16-17(25)24(5)18(22)23-20(16,4)14-10-11-15(21)26-14/h6-11,16H,1-5H3,(H2,22,23)/t16-,20-/m1/s1.
What are the key properties of CID 89248015?
CID 89248015 has a molecular weight of 365.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89248015 is sourced from PubChem (CID 89248015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).