ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine

C26H30N6OS — CID 145343942

IUPACethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
SMILESCC.Cn1nccc1Nc1nccc(-c2ccc3c(c2)CCN3SOCCc2ccccc2)n1
InChIInChI=1S/C24H24N6OS.C2H6/c1-29-23(10-14-26-29)28-24-25-13-9-21(27-24)19-7-8-22-20(17-19)11-15-30(22)32-31-16-12-18-5-3-2-4-6-18;1-2/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,25,27,28);1-2H3
InChIKeyXDHJZCGNNNRQCZ-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.83
Rot. Bonds8

About ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine

ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine (PubChem CID 145343942) has the molecular formula C26H30N6OS and a molecular weight of 474.63 g/mol. Its IUPAC name is ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
PubChem CID145343942
Molecular FormulaC26H30N6OS
Molecular Weight474.63 g/mol
Exact Mass474.22
IUPAC Nameethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
SMILESCC.Cn1nccc1Nc1nccc(-c2ccc3c(c2)CCN3SOCCc2ccccc2)n1
InChIInChI=1S/C24H24N6OS.C2H6/c1-29-23(10-14-26-29)28-24-25-13-9-21(27-24)19-7-8-22-20(17-19)11-15-30(22)32-31-16-12-18-5-3-2-4-6-18;1-2/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,25,27,28);1-2H3
InChIKeyXDHJZCGNNNRQCZ-UHFFFAOYSA-N
XLogP5.83
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine 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

N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
CID 130204452
4-[1-[2-(2-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 130204467
(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
CID 118216538
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
1-[(2-chlorophenyl)methylsulfinyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204123
2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794
4-[1-[2-(2-chloro-5-fluorophenyl)ethyl]-7-fluoro-2,3-dihydroindol-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155071900
2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 129077393

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine?
The IUPAC name of ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine (CID 145343942) is ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine?
The canonical SMILES for ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine is CC.Cn1nccc1Nc1nccc(-c2ccc3c(c2)CCN3SOCCc2ccccc2)n1.
What is the InChIKey of ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine?
The InChIKey is XDHJZCGNNNRQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS.C2H6/c1-29-23(10-14-26-29)28-24-25-13-9-21(27-24)19-7-8-22-20(17-19)11-15-30(22)32-31-16-12-18-5-3-2-4-6-18;1-2/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,25,27,28);1-2H3.
What are the key properties of ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine?
ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine has a molecular weight of 474.63 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 145343942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).